3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C32H36ClN7O3 — CID 90684055

About 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684055) has the molecular formula C32H36ClN7O3 and a molecular weight of 602.14 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

• Compound Name: 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
• PubChem CID: 90684055
• Molecular Formula: C32H36ClN7O3
• Molecular Weight: 602.14 g/mol
• Exact Mass: 601.26
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
• SMILES: CC1CCC(Cn2c(N3CC(C)OCC3c3ccccc3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C32H36ClN7O3/c1-19-8-10-21(11-9-19)17-40-29-25(36-31(40)39-16-20(2)42-18-27(39)22-6-4-3-5-7-22)13-26(30-37-32(41)43-38-30)35-28(29)23-12-24(33)15-34-14-23/h3-7,12-15,19-21,27,30,38H,8-11,16-18H2,1-2H3,(H,37,41)
• InChIKey: UONFAIAHPJWXIU-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 106.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.14
LogP ≤ 5	6.18
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)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684055) is 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(Cn2c(N3CC(C)OCC3c3ccccc3)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.

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

The InChIKey is UONFAIAHPJWXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN7O3/c1-19-8-10-21(11-9-19)17-40-29-25(36-31(40)39-16-20(2)42-18-27(39)22-6-4-3-5-7-22)13-26(30-37-32(41)43-38-30)35-28(29)23-12-24(33)15-34-14-23/h3-7,12-15,19-21,27,30,38H,8-11,16-18H2,1-2H3,(H,37,41).

What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 602.14 g/mol, XLogP of 6.18, 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)-3-[(4-methylcyclohexyl)methyl]-2-(2-methyl-5-phenylmorpholin-4-yl)imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).