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

C29H37FN6O4 — CID 56651369

IUPAC4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3cnc(OCCN4CCOCC4)cc32)CC1
InChIInChI=1S/C29H37FN6O4/c1-19(2)32-27(37)21-5-9-23(10-6-21)36-25-17-26(40-16-13-35-11-14-39-15-12-35)31-18-24(25)33-29(36)34-28(38)20-3-7-22(30)8-4-20/h3-4,7-8,17-19,21,23H,5-6,9-16H2,1-2H3,(H,32,37)(H,33,34,38)
InChIKeyCMTPOMQHEGQFDT-UHFFFAOYSA-N
MW552.65 g/mol
LogP3.79
Rot. Bonds9

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

4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 56651369) has the molecular formula C29H37FN6O4 and a molecular weight of 552.65 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID56651369
Molecular FormulaC29H37FN6O4
Molecular Weight552.65 g/mol
Exact Mass552.29
IUPAC Name4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESCC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3cnc(OCCN4CCOCC4)cc32)CC1
InChIInChI=1S/C29H37FN6O4/c1-19(2)32-27(37)21-5-9-23(10-6-21)36-25-17-26(40-16-13-35-11-14-39-15-12-35)31-18-24(25)33-29(36)34-28(38)20-3-7-22(30)8-4-20/h3-4,7-8,17-19,21,23H,5-6,9-16H2,1-2H3,(H,32,37)(H,33,34,38)
InChIKeyCMTPOMQHEGQFDT-UHFFFAOYSA-N
XLogP3.79
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.65
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide (CID 56651369) is 4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is CC(C)NC(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3cnc(OCCN4CCOCC4)cc32)CC1.
What is the InChIKey of 4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is CMTPOMQHEGQFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN6O4/c1-19(2)32-27(37)21-5-9-23(10-6-21)36-25-17-26(40-16-13-35-11-14-39-15-12-35)31-18-24(25)33-29(36)34-28(38)20-3-7-22(30)8-4-20/h3-4,7-8,17-19,21,23H,5-6,9-16H2,1-2H3,(H,32,37)(H,33,34,38).
What are the key properties of 4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide?
4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 552.65 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(2-morpholin-4-ylethoxy)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]imidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 56651369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).