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

C26H33ClN6O4 — CID 90684184

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

3-[4-(5-chloro-3-pyridinyl)-2-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684184) has the molecular formula C26H33ClN6O4 and a molecular weight of 529.04 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

• Compound Name: 3-[4-(5-chloro-3-pyridinyl)-2-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
• PubChem CID: 90684184
• Molecular Formula: C26H33ClN6O4
• Molecular Weight: 529.04 g/mol
• Exact Mass: 528.23
• IUPAC Name: 3-[4-(5-chloro-3-pyridinyl)-2-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
• SMILES: CCOC(COC)c1nc2cc(C3NOC(=O)N3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1
• InChI: InChI=1S/C26H33ClN6O4/c1-4-36-21(14-35-3)25-30-19-10-20(24-31-26(34)37-32-24)29-22(17-9-18(27)12-28-11-17)23(19)33(25)13-16-7-5-15(2)6-8-16/h9-12,15-16,21,24,32H,4-8,13-14H2,1-3H3,(H,31,34)
• InChIKey: QBJORRXTOHIANV-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 112.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.04
LogP ≤ 5	4.94
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-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684184) is 3-[4-(5-chloro-3-pyridinyl)-2-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]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)-2-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?

The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CCOC(COC)c1nc2cc(C3NOC(=O)N3)nc(-c3cncc(Cl)c3)c2n1CC1CCC(C)CC1.

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

The InChIKey is QBJORRXTOHIANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN6O4/c1-4-36-21(14-35-3)25-30-19-10-20(24-31-26(34)37-32-24)29-22(17-9-18(27)12-28-11-17)23(19)33(25)13-16-7-5-15(2)6-8-16/h9-12,15-16,21,24,32H,4-8,13-14H2,1-3H3,(H,31,34).

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

3-[4-(5-chloro-3-pyridinyl)-2-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 529.04 g/mol, XLogP of 4.94, 9 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-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).