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

C31H41FN6O4 — CID 66728815

IUPAC4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc3cnc(OCCN4CCCCC4)cc3n2C2CCC(C(=O)NC(C)C)CC2)ccc1F
InChIInChI=1S/C31H41FN6O4/c1-20(2)34-29(39)21-7-10-23(11-8-21)38-26-18-28(42-16-15-37-13-5-4-6-14-37)33-19-25(26)35-31(38)36-30(40)22-9-12-24(32)27(17-22)41-3/h9,12,17-21,23H,4-8,10-11,13-16H2,1-3H3,(H,34,39)(H,35,36,40)
InChIKeyPNURFHPQSLUFIH-UHFFFAOYSA-N
MW580.71 g/mol
LogP4.95
Rot. Bonds10

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

4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 66728815) has the molecular formula C31H41FN6O4 and a molecular weight of 580.71 g/mol. Its IUPAC name is 4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID66728815
Molecular FormulaC31H41FN6O4
Molecular Weight580.71 g/mol
Exact Mass580.32
IUPAC Name4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc3cnc(OCCN4CCCCC4)cc3n2C2CCC(C(=O)NC(C)C)CC2)ccc1F
InChIInChI=1S/C31H41FN6O4/c1-20(2)34-29(39)21-7-10-23(11-8-21)38-26-18-28(42-16-15-37-13-5-4-6-14-37)33-19-25(26)35-31(38)36-30(40)22-9-12-24(32)27(17-22)41-3/h9,12,17-21,23H,4-8,10-11,13-16H2,1-3H3,(H,34,39)(H,35,36,40)
InChIKeyPNURFHPQSLUFIH-UHFFFAOYSA-N
XLogP4.95
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.71
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (CID 66728815) is 4-fluoro-3-methoxy-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 4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is COc1cc(C(=O)Nc2nc3cnc(OCCN4CCCCC4)cc3n2C2CCC(C(=O)NC(C)C)CC2)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is PNURFHPQSLUFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41FN6O4/c1-20(2)34-29(39)21-7-10-23(11-8-21)38-26-18-28(42-16-15-37-13-5-4-6-14-37)33-19-25(26)35-31(38)36-30(40)22-9-12-24(32)27(17-22)41-3/h9,12,17-21,23H,4-8,10-11,13-16H2,1-3H3,(H,34,39)(H,35,36,40).
What are the key properties of 4-fluoro-3-methoxy-N-[6-(2-piperidin-1-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
4-fluoro-3-methoxy-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 580.71 g/mol, XLogP of 4.95, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methoxy-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 66728815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).