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

C29H37ClN6O3 — CID 137031407

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

3-[4-(5-chloro-3-pyridinyl)-2-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137031407) has the molecular formula C29H37ClN6O3 and a molecular weight of 553.11 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)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-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 137031407
• Molecular Formula: C29H37ClN6O3
• Molecular Weight: 553.11 g/mol
• Exact Mass: 552.26
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-2-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• SMILES: CCCC1CCC(Cn2c(C(C)COC(C)C)nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C29H37ClN6O3/c1-5-6-19-7-9-20(10-8-19)15-36-26-23(33-28(36)18(4)16-38-17(2)3)12-24(27-34-29(37)39-35-27)32-25(26)21-11-22(30)14-31-13-21/h11-14,17-20H,5-10,15-16H2,1-4H3,(H,34,35,37)
• InChIKey: FBRUAZPZGZJCSH-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 111.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.11
LogP ≤ 5	6.62
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-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)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-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 137031407) is 3-[4-(5-chloro-3-pyridinyl)-2-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)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-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)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-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CCCC1CCC(Cn2c(C(C)COC(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-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?

The InChIKey is FBRUAZPZGZJCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN6O3/c1-5-6-19-7-9-20(10-8-19)15-36-26-23(33-28(36)18(4)16-38-17(2)3)12-24(27-34-29(37)39-35-27)32-25(26)21-11-22(30)14-31-13-21/h11-14,17-20H,5-10,15-16H2,1-4H3,(H,34,35,37).

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

3-[4-(5-chloro-3-pyridinyl)-2-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 553.11 g/mol, XLogP of 6.62, 10 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-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137031407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).