4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide

C32H42FN7O3 — CID 66728948

IUPAC4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESC[C@@H]1CNCCN1C(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C32H42FN7O3/c1-22-20-34-13-16-39(22)31(42)24-7-11-26(12-8-24)40-28-19-29(43-18-17-38-14-3-2-4-15-38)35-21-27(28)36-32(40)37-30(41)23-5-9-25(33)10-6-23/h5-6,9-10,19,21-22,24,26,34H,2-4,7-8,11-18,20H2,1H3,(H,36,37,41)/t22-,24?,26?/m1/s1
InChIKeyUPSYMNISZGPZKC-HHFDMNLUSA-N
MW591.73 g/mol
LogP4.24
Rot. Bonds8

About 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide

4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 66728948) has the molecular formula C32H42FN7O3 and a molecular weight of 591.73 g/mol. Its IUPAC name is 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID66728948
Molecular FormulaC32H42FN7O3
Molecular Weight591.73 g/mol
Exact Mass591.33
IUPAC Name4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide
SMILESC[C@@H]1CNCCN1C(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3cnc(OCCN4CCCCC4)cc32)CC1
InChIInChI=1S/C32H42FN7O3/c1-22-20-34-13-16-39(22)31(42)24-7-11-26(12-8-24)40-28-19-29(43-18-17-38-14-3-2-4-15-38)35-21-27(28)36-32(40)37-30(41)23-5-9-25(33)10-6-23/h5-6,9-10,19,21-22,24,26,34H,2-4,7-8,11-18,20H2,1H3,(H,36,37,41)/t22-,24?,26?/m1/s1
InChIKeyUPSYMNISZGPZKC-HHFDMNLUSA-N
XLogP4.24
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500591.73
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)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 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide (CID 66728948) is 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide is C[C@@H]1CNCCN1C(=O)C1CCC(n2c(NC(=O)c3ccc(F)cc3)nc3cnc(OCCN4CCCCC4)cc32)CC1.
What is the InChIKey of 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is UPSYMNISZGPZKC-HHFDMNLUSA-N. The full InChI is InChI=1S/C32H42FN7O3/c1-22-20-34-13-16-39(22)31(42)24-7-11-26(12-8-24)40-28-19-29(43-18-17-38-14-3-2-4-15-38)35-21-27(28)36-32(40)37-30(41)23-5-9-25(33)10-6-23/h5-6,9-10,19,21-22,24,26,34H,2-4,7-8,11-18,20H2,1H3,(H,36,37,41)/t22-,24?,26?/m1/s1.
What are the key properties of 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide?
4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 591.73 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[4-[(2R)-2-methylpiperazine-1-carbonyl]cyclohexyl]-6-(2-piperidin-1-ylethoxy)imidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 66728948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).