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

C30H35ClN6O3 — CID 123667039

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

5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-ethynylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,3,4-oxadiazolidin-2-one (PubChem CID 123667039) has the molecular formula C30H35ClN6O3 and a molecular weight of 563.10 g/mol. Its IUPAC name is 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-ethynylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,3,4-oxadiazolidin-2-one.

Molecular Properties

• Compound Name: 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-ethynylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,3,4-oxadiazolidin-2-one
• PubChem CID: 123667039
• Molecular Formula: C30H35ClN6O3
• Molecular Weight: 563.10 g/mol
• Exact Mass: 562.25
• IUPAC Name: 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-ethynylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,3,4-oxadiazolidin-2-one
• SMILES: C#CC1CCC(Cn2c(C(OCC)C3CCCC3)nc3cc(C4NNC(=O)O4)nc(-c4cncc(Cl)c4)c32)CC1
• InChI: InChI=1S/C30H35ClN6O3/c1-3-18-9-11-19(12-10-18)17-37-26-23(34-28(37)27(39-4-2)20-7-5-6-8-20)14-24(29-35-36-30(38)40-29)33-25(26)21-13-22(31)16-32-15-21/h1,13-16,18-20,27,29,35H,4-12,17H2,2H3,(H,36,38)
• InChIKey: RNSJEYFWGVGYMQ-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 103.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.10
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-ethynylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,3,4-oxadiazolidin-2-one?

The IUPAC name of 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-ethynylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,3,4-oxadiazolidin-2-one (CID 123667039) is 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-ethynylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,3,4-oxadiazolidin-2-one.

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

The canonical SMILES for 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-ethynylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,3,4-oxadiazolidin-2-one is C#CC1CCC(Cn2c(C(OCC)C3CCCC3)nc3cc(C4NNC(=O)O4)nc(-c4cncc(Cl)c4)c32)CC1.

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

The InChIKey is RNSJEYFWGVGYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN6O3/c1-3-18-9-11-19(12-10-18)17-37-26-23(34-28(37)27(39-4-2)20-7-5-6-8-20)14-24(29-35-36-30(38)40-29)33-25(26)21-13-22(31)16-32-15-21/h1,13-16,18-20,27,29,35H,4-12,17H2,2H3,(H,36,38).

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

5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-ethynylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,3,4-oxadiazolidin-2-one has a molecular weight of 563.10 g/mol, XLogP of 6.10, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(5-chloro-3-pyridinyl)-2-[cyclopentyl(ethoxy)methyl]-3-[(4-ethynylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,3,4-oxadiazolidin-2-one is sourced from PubChem (CID 123667039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).