3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide

C31H38FN7O3 — CID 56652735

IUPAC3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3cc(F)cc(C#N)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C31H38FN7O3/c1-20(2)35-29(40)22-6-8-25(9-7-22)39-27-17-28(42-13-12-38-10-4-3-5-11-38)34-19-26(27)36-31(39)37-30(41)23-14-21(18-33)15-24(32)16-23/h14-17,19-20,22,25H,3-13H2,1-2H3,(H,35,40)(H,36,37,41)
InChIKeyZAFKSLBRAPRQQS-UHFFFAOYSA-N
MW575.69 g/mol
LogP4.81
Rot. Bonds9

About 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide

3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 56652735) has the molecular formula C31H38FN7O3 and a molecular weight of 575.69 g/mol. Its IUPAC name is 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID56652735
Molecular FormulaC31H38FN7O3
Molecular Weight575.69 g/mol
Exact Mass575.30
IUPAC Name3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3cc(F)cc(C#N)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C31H38FN7O3/c1-20(2)35-29(40)22-6-8-25(9-7-22)39-27-17-28(42-13-12-38-10-4-3-5-11-38)34-19-26(27)36-31(39)37-30(41)23-14-21(18-33)15-24(32)16-23/h14-17,19-20,22,25H,3-13H2,1-2H3,(H,35,40)(H,36,37,41)
InChIKeyZAFKSLBRAPRQQS-UHFFFAOYSA-N
XLogP4.81
TPSA125.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.69
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (CID 56652735) is 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is CC(C)NC(=O)C1CCC(n2c(NC(=O)c3cc(F)cc(C#N)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1.
What is the InChIKey of 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is ZAFKSLBRAPRQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38FN7O3/c1-20(2)35-29(40)22-6-8-25(9-7-22)39-27-17-28(42-13-12-38-10-4-3-5-11-38)34-19-26(27)36-31(39)37-30(41)23-14-21(18-33)15-24(32)16-23/h14-17,19-20,22,25H,3-13H2,1-2H3,(H,35,40)(H,36,37,41).
What are the key properties of 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 575.69 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-5-fluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 56652735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).