N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid

C43H57Cl2N7O5 — CID 142388719

About N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid

N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid (PubChem CID 142388719) has the molecular formula C43H57Cl2N7O5 and a molecular weight of 822.88 g/mol. Its IUPAC name is N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid.

Molecular Properties

• Compound Name: N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid
• PubChem CID: 142388719
• Molecular Formula: C43H57Cl2N7O5
• Molecular Weight: 822.88 g/mol
• Exact Mass: 821.38
• IUPAC Name: N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid
• SMILES: CC1=C(N(C)C(C)C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2Cl)CCN(C2CCOCC2)C1.O=C(O)C1CCCCC1
• InChI: InChI=1S/C36H45Cl2N7O3.C7H12O2/c1-22-20-45(24-14-18-48-19-15-24)17-13-30(22)43(4)23(2)35(46)40-27-10-6-8-25(32(27)37)26-9-7-11-28(33(26)38)41-36(47)34-39-29-21-42(3)16-12-31(29)44(34)5;8-7(9)6-4-2-1-3-5-6/h6-11,23-24H,12-21H2,1-5H3,(H,40,46)(H,41,47);6H,1-5H2,(H,8,9)
• InChIKey: VDDJJQLICRDZSV-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 132.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	822.88
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid?

The IUPAC name of N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid (CID 142388719) is N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid.

What is the SMILES notation for N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid?

The canonical SMILES for N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid is CC1=C(N(C)C(C)C(=O)Nc2cccc(-c3cccc(NC(=O)c4nc5c(n4C)CCN(C)C5)c3Cl)c2Cl)CCN(C2CCOCC2)C1.O=C(O)C1CCCCC1.

What is the InChIKey of N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid?

The InChIKey is VDDJJQLICRDZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H45Cl2N7O3.C7H12O2/c1-22-20-45(24-14-18-48-19-15-24)17-13-30(22)43(4)23(2)35(46)40-27-10-6-8-25(32(27)37)26-9-7-11-28(33(26)38)41-36(47)34-39-29-21-42(3)16-12-31(29)44(34)5;8-7(9)6-4-2-1-3-5-6/h6-11,23-24H,12-21H2,1-5H3,(H,40,46)(H,41,47);6H,1-5H2,(H,8,9).

What are the key properties of N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid?

N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid has a molecular weight of 822.88 g/mol, XLogP of 7.70, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[2-chloro-3-[2-[methyl-[5-methyl-1-(oxan-4-yl)-3,6-dihydro-2H-pyridin-4-yl]amino]propanoylamino]phenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarboxylic acid is sourced from PubChem (CID 142388719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).