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

C29H35ClN6O2 — CID 136930164

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

3-[4-(3-chlorophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 136930164) has the molecular formula C29H35ClN6O2 and a molecular weight of 535.09 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)-2-[(2R,6R)-2,6-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-(3-chlorophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 136930164
• Molecular Formula: C29H35ClN6O2
• Molecular Weight: 535.09 g/mol
• Exact Mass: 534.25
• IUPAC Name: 3-[4-(3-chlorophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• SMILES: CC1CCC(Cn2c(N3[C@H](C)CCC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cccc(Cl)c4)c32)CC1
• InChI: InChI=1S/C29H35ClN6O2/c1-17-10-12-20(13-11-17)16-35-26-23(32-28(35)36-18(2)6-4-7-19(36)3)15-24(27-33-29(37)38-34-27)31-25(26)21-8-5-9-22(30)14-21/h5,8-9,14-15,17-20H,4,6-7,10-13,16H2,1-3H3,(H,33,34,37)/t17?,18-,19-,20?/m1/s1
• InChIKey: PSRASNTVZXDWDA-WBFXSEPVSA-N
• XLogP: 6.69
• TPSA: 92.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.09
LogP ≤ 5	6.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)-2-[(2R,6R)-2,6-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-(3-chlorophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 136930164) is 3-[4-(3-chlorophenyl)-2-[(2R,6R)-2,6-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-(3-chlorophenyl)-2-[(2R,6R)-2,6-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-(3-chlorophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CC1CCC(Cn2c(N3[C@H](C)CCC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cccc(Cl)c4)c32)CC1.

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

The InChIKey is PSRASNTVZXDWDA-WBFXSEPVSA-N. The full InChI is InChI=1S/C29H35ClN6O2/c1-17-10-12-20(13-11-17)16-35-26-23(32-28(35)36-18(2)6-4-7-19(36)3)15-24(27-33-29(37)38-34-27)31-25(26)21-8-5-9-22(30)14-21/h5,8-9,14-15,17-20H,4,6-7,10-13,16H2,1-3H3,(H,33,34,37)/t17?,18-,19-,20?/m1/s1.

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

3-[4-(3-chlorophenyl)-2-[(2R,6R)-2,6-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 535.09 g/mol, XLogP of 6.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-chlorophenyl)-2-[(2R,6R)-2,6-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 136930164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).