3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C29H32ClN7O2 — CID 90684217

About 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684217) has the molecular formula C29H32ClN7O2 and a molecular weight of 546.08 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

• Compound Name: 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
• PubChem CID: 90684217
• Molecular Formula: C29H32ClN7O2
• Molecular Weight: 546.08 g/mol
• Exact Mass: 545.23
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
• SMILES: CC1CCC(Cn2c(-c3cc(C(C)C)ccn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C29H32ClN7O2/c1-16(2)19-8-9-32-24(11-19)28-34-22-12-23(27-35-29(38)39-36-27)33-25(20-10-21(30)14-31-13-20)26(22)37(28)15-18-6-4-17(3)5-7-18/h8-14,16-18,27,36H,4-7,15H2,1-3H3,(H,35,38)
• InChIKey: YTCAUBZQVUJABV-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 106.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.08
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684217) is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(-c3cc(C(C)C)ccn3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.

What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The InChIKey is YTCAUBZQVUJABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClN7O2/c1-16(2)19-8-9-32-24(11-19)28-34-22-12-23(27-35-29(38)39-36-27)33-25(20-10-21(30)14-31-13-20)26(22)37(28)15-18-6-4-17(3)5-7-18/h8-14,16-18,27,36H,4-7,15H2,1-3H3,(H,35,38).

What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 546.08 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(4-propan-2-yl-2-pyridinyl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).