General Information of the Compound
Compound ID
CP0146451
Compound Name
2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine
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Synonyms
(3,3-DIFLUOROPYRROLIDIN-1-YL)[(2S,4S)-4-[4-(PYRIMIDIN-2-YL)PIPERAZIN-1-YL]PYRROLIDIN-2-YL]METHANONE
(3,3-difluoropyrrolidin-1-yl)((2S,4S)-4-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-2-yl)methanone
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]methanone
2-(4-{(3s,5s)-5-[(3,3-Difluoropyrrolidin-1-Yl)carbonyl]pyrrolidin-3-Yl}piperazin-1-Yl)pyrimidine
869490-23-3
869490-47-1
CHEMBL515387
GI718UO477
GOSOGLIPTIN
Gosogliptin [USAN:
PF-00734200
PF-734200
UNII-GI718UO477
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Structure
Formula
C17H24F2N6O
Molecular Weight
366.416
Canonical SMILES
FC1(F)CCN(C1)C(=O)[C@@H]1C[C@@H](CN1)N1CCN(CC1)c1ncccn1
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InChI
InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1
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InChIKey
QWEWGXUTRTXFRF-KBPBESRZSA-N
CAS
869490-23-3
Physicochemical Property
logP
0.1967
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
64.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
26

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11516136
SID: 16618118
ChEMBL ID
CHEMBL515387
DrugBank ID
DB08382
Clinical Information about the Compound
Drug 1 ( PF-00734200 )
Drug Name PF-00734200
Indication
Type-2 diabetes
Phase 2
Target(s)
Dipeptidyl peptidase 4 (DPP-4)
 Target Info 
Modulator