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

C25H28ClFN6O3 — CID 136640294

About 3-[4-(5-chloro-3-pyridinyl)-2-(2-fluoro-1-methoxypropan-2-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-(2-fluoro-1-methoxypropan-2-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 136640294) has the molecular formula C25H28ClFN6O3 and a molecular weight of 514.99 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-(2-fluoro-1-methoxypropan-2-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-(2-fluoro-1-methoxypropan-2-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• PubChem CID: 136640294
• Molecular Formula: C25H28ClFN6O3
• Molecular Weight: 514.99 g/mol
• Exact Mass: 514.19
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-2-(2-fluoro-1-methoxypropan-2-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
• SMILES: COCC(C)(F)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
• InChI: InChI=1S/C25H28ClFN6O3/c1-14-4-6-15(7-5-14)12-33-21-18(30-23(33)25(2,27)13-35-3)9-19(22-31-24(34)36-32-22)29-20(21)16-8-17(26)11-28-10-16/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,31,32,34)
• InChIKey: QJZXUYFUKFQOTE-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 111.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.99
LogP ≤ 5	5.15
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-(2-fluoro-1-methoxypropan-2-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-(2-fluoro-1-methoxypropan-2-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 136640294) is 3-[4-(5-chloro-3-pyridinyl)-2-(2-fluoro-1-methoxypropan-2-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-(2-fluoro-1-methoxypropan-2-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-(2-fluoro-1-methoxypropan-2-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is COCC(C)(F)c1nc2cc(-c3noc(=O)[nH]3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.

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

The InChIKey is QJZXUYFUKFQOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClFN6O3/c1-14-4-6-15(7-5-14)12-33-21-18(30-23(33)25(2,27)13-35-3)9-19(22-31-24(34)36-32-22)29-20(21)16-8-17(26)11-28-10-16/h8-11,14-15H,4-7,12-13H2,1-3H3,(H,31,32,34).

What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-(2-fluoro-1-methoxypropan-2-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-(2-fluoro-1-methoxypropan-2-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 514.99 g/mol, XLogP of 5.15, 7 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-(2-fluoro-1-methoxypropan-2-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 136640294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).