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

C29H35ClN6O3 — CID 90235269

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

5-[4-(5-chloro-3-pyridinyl)-2-(1-cyclopentylethoxymethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 90235269) has the molecular formula C29H35ClN6O3 and a molecular weight of 551.09 g/mol. Its IUPAC name is 5-[4-(5-chloro-3-pyridinyl)-2-(1-cyclopentylethoxymethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

• Compound Name: 5-[4-(5-chloro-3-pyridinyl)-2-(1-cyclopentylethoxymethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one
• PubChem CID: 90235269
• Molecular Formula: C29H35ClN6O3
• Molecular Weight: 551.09 g/mol
• Exact Mass: 550.25
• IUPAC Name: 5-[4-(5-chloro-3-pyridinyl)-2-(1-cyclopentylethoxymethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one
• SMILES: CC1CCC(Cn2c(COC(C)C3CCCC3)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C29H35ClN6O3/c1-17-7-9-19(10-8-17)15-36-25(16-38-18(2)20-5-3-4-6-20)32-23-12-24(28-34-35-29(37)39-28)33-26(27(23)36)21-11-22(30)14-31-13-21/h11-14,17-20H,3-10,15-16H2,1-2H3,(H,35,37)
• InChIKey: KGQKGMAKGFIUTI-UHFFFAOYSA-N
• XLogP: 6.41
• TPSA: 111.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.09
LogP ≤ 5	6.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-[4-(5-chloro-3-pyridinyl)-2-(1-cyclopentylethoxymethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one (CID 90235269) is 5-[4-(5-chloro-3-pyridinyl)-2-(1-cyclopentylethoxymethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one.

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

The canonical SMILES for 5-[4-(5-chloro-3-pyridinyl)-2-(1-cyclopentylethoxymethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one is CC1CCC(Cn2c(COC(C)C3CCCC3)nc3cc(-c4n[nH]c(=O)o4)nc(-c4cncc(Cl)c4)c32)CC1.

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

The InChIKey is KGQKGMAKGFIUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN6O3/c1-17-7-9-19(10-8-17)15-36-25(16-38-18(2)20-5-3-4-6-20)32-23-12-24(28-34-35-29(37)39-28)33-26(27(23)36)21-11-22(30)14-31-13-21/h11-14,17-20H,3-10,15-16H2,1-2H3,(H,35,37).

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

5-[4-(5-chloro-3-pyridinyl)-2-(1-cyclopentylethoxymethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 551.09 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(5-chloro-3-pyridinyl)-2-(1-cyclopentylethoxymethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 90235269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).