General Information of the Compound
Compound ID
CP0540245
Compound Name
3,4-dichloro-2-cyclopropyl-1-piperidin-3-ylpyrrolo[2,3-b]pyridine-6-carboxamide
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Structure
Formula
C16H18Cl2N4O
Molecular Weight
353.253
Canonical SMILES
NC(=O)c1cc(Cl)c2c(Cl)c(C3CC3)n(C3CCCNC3)c2n1
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InChI
InChI=1S/C16H18Cl2N4O/c17-10-6-11(15(19)23)21-16-12(10)13(18)14(8-3-4-8)22(16)9-2-1-5-20-7-9/h6,8-9,20H,1-5,7H2,(H2,19,23)
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InChIKey
DAGZBPRGFBEYDJ-UHFFFAOYSA-N
Physicochemical Property
logP
3.2439
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
72.94
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 137648598
ChEMBL ID
CHEMBL4082422