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

C28H34ClN7O2 — CID 136930161

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

3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 136930161) has the molecular formula C28H34ClN7O2 and a molecular weight of 536.08 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

• Compound Name: 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 136930161
• Molecular Formula: C28H34ClN7O2
• Molecular Weight: 536.08 g/mol
• Exact Mass: 535.25
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• SMILES: CC1CCC(Cn2c(N3CCCC(C)C3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C28H34ClN7O2/c1-16-6-8-19(9-7-16)15-36-25-22(32-27(36)35-10-4-5-17(2)18(35)3)12-23(26-33-28(37)38-34-26)31-24(25)20-11-21(29)14-30-13-20/h11-14,16-19H,4-10,15H2,1-3H3,(H,33,34,37)
• InChIKey: GMGDLQSAIJFVRQ-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 105.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.08
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 136930161) is 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.

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

The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CC1CCC(Cn2c(N3CCCC(C)C3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.

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

The InChIKey is GMGDLQSAIJFVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN7O2/c1-16-6-8-19(9-7-16)15-36-25-22(32-27(36)35-10-4-5-17(2)18(35)3)12-23(26-33-28(37)38-34-26)31-24(25)20-11-21(29)14-30-13-20/h11-14,16-19H,4-10,15H2,1-3H3,(H,33,34,37).

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

3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 536.08 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 136930161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).