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

C30H38F2N6O3 — CID 66728937

IUPAC3,5-difluoro-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(F)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C30H38F2N6O3/c1-19(2)34-28(39)20-6-8-24(9-7-20)38-26-17-27(41-13-12-37-10-4-3-5-11-37)33-18-25(26)35-30(38)36-29(40)21-14-22(31)16-23(32)15-21/h14-20,24H,3-13H2,1-2H3,(H,34,39)(H,35,36,40)
InChIKeyLZOLVOKWZJQWMY-UHFFFAOYSA-N
MW568.67 g/mol
LogP5.08
Rot. Bonds9

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

3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 66728937) has the molecular formula C30H38F2N6O3 and a molecular weight of 568.67 g/mol. Its IUPAC name is 3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID66728937
Molecular FormulaC30H38F2N6O3
Molecular Weight568.67 g/mol
Exact Mass568.30
IUPAC Name3,5-difluoro-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(F)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C30H38F2N6O3/c1-19(2)34-28(39)20-6-8-24(9-7-20)38-26-17-27(41-13-12-37-10-4-3-5-11-37)33-18-25(26)35-30(38)36-29(40)21-14-22(31)16-23(32)15-21/h14-20,24H,3-13H2,1-2H3,(H,34,39)(H,35,36,40)
InChIKeyLZOLVOKWZJQWMY-UHFFFAOYSA-N
XLogP5.08
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3,5-difluoro-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 3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (CID 66728937) is 3,5-difluoro-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 3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 3,5-difluoro-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(F)c3)nc3cnc(OCCN4CCCCC4)cc32)CC1.
What is the InChIKey of 3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is LZOLVOKWZJQWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38F2N6O3/c1-19(2)34-28(39)20-6-8-24(9-7-20)38-26-17-27(41-13-12-37-10-4-3-5-11-37)33-18-25(26)35-30(38)36-29(40)21-14-22(31)16-23(32)15-21/h14-20,24H,3-13H2,1-2H3,(H,34,39)(H,35,36,40).
What are the key properties of 3,5-difluoro-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
3,5-difluoro-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 568.67 g/mol, XLogP of 5.08, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-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 66728937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).