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

C29H36ClN7O3 — CID 136506775

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

3-[4-(5-chloro-3-pyridinyl)-2-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 136506775) has the molecular formula C29H36ClN7O3 and a molecular weight of 566.11 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]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-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 136506775
• Molecular Formula: C29H36ClN7O3
• Molecular Weight: 566.11 g/mol
• Exact Mass: 565.26
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-2-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• SMILES: CC1CCC(C(C)n2c(N3C[C@H](O)CC3C(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C29H36ClN7O3/c1-15(2)24-10-21(38)14-36(24)28-33-22-11-23(27-34-29(39)40-35-27)32-25(19-9-20(30)13-31-12-19)26(22)37(28)17(4)18-7-5-16(3)6-8-18/h9,11-13,15-18,21,24,38H,5-8,10,14H2,1-4H3,(H,34,35,39)/t16?,17?,18?,21-,24?/m1/s1
• InChIKey: YETFXBIXUYXZCC-WWKNUYBVSA-N
• XLogP: 5.47
• TPSA: 125.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.11
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]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-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 136506775) is 3-[4-(5-chloro-3-pyridinyl)-2-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]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-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]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-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CC1CCC(C(C)n2c(N3C[C@H](O)CC3C(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1.

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

The InChIKey is YETFXBIXUYXZCC-WWKNUYBVSA-N. The full InChI is InChI=1S/C29H36ClN7O3/c1-15(2)24-10-21(38)14-36(24)28-33-22-11-23(27-34-29(39)40-35-27)32-25(19-9-20(30)13-31-12-19)26(22)37(28)17(4)18-7-5-16(3)6-8-18/h9,11-13,15-18,21,24,38H,5-8,10,14H2,1-4H3,(H,34,35,39)/t16?,17?,18?,21-,24?/m1/s1.

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

3-[4-(5-chloro-3-pyridinyl)-2-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 566.11 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-chloro-3-pyridinyl)-2-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 136506775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).