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

C28H34ClN7O3 — CID 137068374

About 3-[4-(5-chloro-3-pyridinyl)-2-(5-methoxy-2-methylpiperidin-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-(5-methoxy-2-methylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137068374) has the molecular formula C28H34ClN7O3 and a molecular weight of 552.08 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-(5-methoxy-2-methylpiperidin-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-(5-methoxy-2-methylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 137068374
• Molecular Formula: C28H34ClN7O3
• Molecular Weight: 552.08 g/mol
• Exact Mass: 551.24
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-2-(5-methoxy-2-methylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• SMILES: COC1CCC(C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1
• InChI: InChI=1S/C28H34ClN7O3/c1-16-4-7-18(8-5-16)14-36-25-22(32-27(36)35-15-21(38-3)9-6-17(35)2)11-23(26-33-28(37)39-34-26)31-24(25)19-10-20(29)13-30-12-19/h10-13,16-18,21H,4-9,14-15H2,1-3H3,(H,33,34,37)
• InChIKey: BESYXWPFLDXEOL-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 114.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	552.08
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-(5-methoxy-2-methylpiperidin-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-(5-methoxy-2-methylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 137068374) is 3-[4-(5-chloro-3-pyridinyl)-2-(5-methoxy-2-methylpiperidin-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-(5-methoxy-2-methylpiperidin-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-(5-methoxy-2-methylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is COC1CCC(C)N(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C)CC2)C1.

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

The InChIKey is BESYXWPFLDXEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN7O3/c1-16-4-7-18(8-5-16)14-36-25-22(32-27(36)35-15-21(38-3)9-6-17(35)2)11-23(26-33-28(37)39-34-26)31-24(25)19-10-20(29)13-30-12-19/h10-13,16-18,21H,4-9,14-15H2,1-3H3,(H,33,34,37).

What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-(5-methoxy-2-methylpiperidin-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-(5-methoxy-2-methylpiperidin-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 552.08 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-chloro-3-pyridinyl)-2-(5-methoxy-2-methylpiperidin-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 137068374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).