4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile

C23H24ClF3N6 — CID 86724534

About 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile

4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile (PubChem CID 86724534) has the molecular formula C23H24ClF3N6 and a molecular weight of 476.93 g/mol. Its IUPAC name is 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile.

Molecular Properties

• Compound Name: 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile
• PubChem CID: 86724534
• Molecular Formula: C23H24ClF3N6
• Molecular Weight: 476.93 g/mol
• Exact Mass: 476.17
• IUPAC Name: 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile
• SMILES: CC1CCC(Cn2c(N(C)CC(F)(F)F)nc3cc(C#N)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C23H24ClF3N6/c1-14-3-5-15(6-4-14)12-33-21-19(31-22(33)32(2)13-23(25,26)27)8-18(9-28)30-20(21)16-7-17(24)11-29-10-16/h7-8,10-11,14-15H,3-6,12-13H2,1-2H3
• InChIKey: PVZXWAUMWSKRJA-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 70.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.93
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile?

The IUPAC name of 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile (CID 86724534) is 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile.

What is the SMILES notation for 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile?

The canonical SMILES for 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile is CC1CCC(Cn2c(N(C)CC(F)(F)F)nc3cc(C#N)nc(-c4cncc(Cl)c4)c32)CC1.

What is the InChIKey of 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile?

The InChIKey is PVZXWAUMWSKRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF3N6/c1-14-3-5-15(6-4-14)12-33-21-19(31-22(33)32(2)13-23(25,26)27)8-18(9-28)30-20(21)16-7-17(24)11-29-10-16/h7-8,10-11,14-15H,3-6,12-13H2,1-2H3.

What are the key properties of 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile?

4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile has a molecular weight of 476.93 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]imidazo[4,5-c]pyridine-6-carbonitrile is sourced from PubChem (CID 86724534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).