General Information of the Compound
Compound ID
CP0351745
Compound Name
Cyclopropanecarboxylic acid {5-[4-(3-cyano-azetidine-1- carbonyl)-phenyl]- [1,2,4]triazolo[1,5-a]pyridin-2- yl)-amide
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Structure
Formula
C21H18N6O2
Molecular Weight
386.415
Canonical SMILES
O=C(Nc1nc2cccc(-c3ccc(cc3)C(=O)N3CC(C3)C#N)n2n1)C1CC1
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InChI
InChI=1S/C21H18N6O2/c22-10-13-11-26(12-13)20(29)16-8-4-14(5-9-16)17-2-1-3-18-23-21(25-27(17)18)24-19(28)15-6-7-15/h1-5,8-9,13,15H,6-7,11-12H2,(H,24,25,28)
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InChIKey
ZJIPUHBJFPJUGH-UHFFFAOYSA-N
Physicochemical Property
logP
2.34038
Rotatable Bonds
4
Heavy Atom Count
29
Polar Areas
103.39
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
29

"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: 67331264
ChEMBL ID
CHEMBL4641716