3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C82H98Cl3N21O7 — CID 161499037

About 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 161499037) has the molecular formula C82H98Cl3N21O7 and a molecular weight of 1596.18 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)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-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 161499037
• Molecular Formula: C82H98Cl3N21O7
• Molecular Weight: 1596.18 g/mol
• Exact Mass: 1593.70
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• SMILES: CC1CCC(Cn2c(N3CCCC3C(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCOCC3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3[C@H](C)CC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C28H34ClN7O2.C27H32ClN7O3.C27H32ClN7O2/c1-16(2)23-5-4-10-35(23)27-32-21-12-22(26-33-28(37)38-34-26)31-24(19-11-20(29)14-30-13-19)25(21)36(27)15-18-8-6-17(3)7-9-18;1-16-4-6-18(7-5-16)14-35-24-21(31-26(35)34-8-3-9-37-15-17(34)2)11-22(25-32-27(36)38-33-25)30-23(24)19-10-20(28)13-29-12-19;1-15-4-8-18(9-5-15)14-34-24-21(31-26(34)35-16(2)6-7-17(35)3)11-22(25-32-27(36)37-33-25)30-23(24)19-10-20(28)13-29-12-19/h11-14,16-18,23H,4-10,15H2,1-3H3,(H,33,34,37);10-13,16-18H,3-9,14-15H2,1-2H3,(H,32,33,36);10-13,15-18H,4-9,14H2,1-3H3,(H,32,33,36)/t;;15?,16-,17-,18?/m..1/s1
• InChIKey: WGPBMRKYTOLBQF-JYQZDUOSSA-N
• XLogP: 16.57
• TPSA: 326.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.18
LogP ≤ 5	16.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)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-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 161499037) is 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)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-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)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-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CC1CCC(Cn2c(N3CCCC3C(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3CCCOCC3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.CC1CCC(Cn2c(N3[C@H](C)CC[C@H]3C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.

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

The InChIKey is WGPBMRKYTOLBQF-JYQZDUOSSA-N. The full InChI is InChI=1S/C28H34ClN7O2.C27H32ClN7O3.C27H32ClN7O2/c1-16(2)23-5-4-10-35(23)27-32-21-12-22(26-33-28(37)38-34-26)31-24(19-11-20(29)14-30-13-19)25(21)36(27)15-18-8-6-17(3)7-9-18;1-16-4-6-18(7-5-16)14-35-24-21(31-26(35)34-8-3-9-37-15-17(34)2)11-22(25-32-27(36)38-33-25)30-23(24)19-10-20(28)13-29-12-19;1-15-4-8-18(9-5-15)14-34-24-21(31-26(34)35-16(2)6-7-17(35)3)11-22(25-32-27(36)37-33-25)30-23(24)19-10-20(28)13-29-12-19/h11-14,16-18,23H,4-10,15H2,1-3H3,(H,33,34,37);10-13,16-18H,3-9,14-15H2,1-2H3,(H,32,33,36);10-13,15-18H,4-9,14H2,1-3H3,(H,32,33,36)/t;;15?,16-,17-,18?/m..1/s1.

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

3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 1596.18 g/mol, XLogP of 16.57, 16 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-chloro-3-pyridinyl)-2-[(2R,5R)-2,5-dimethylpyrrolidin-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)-3-[(4-methylcyclohexyl)methyl]-2-(3-methyl-1,4-oxazepan-4-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-propan-2-ylpyrrolidin-1-yl)imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 161499037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).