[4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone

C30H30ClN5O3 — CID 83290102

About [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone

[4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone (PubChem CID 83290102) has the molecular formula C30H30ClN5O3 and a molecular weight of 544.06 g/mol. Its IUPAC name is [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

• Compound Name: [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
• PubChem CID: 83290102
• Molecular Formula: C30H30ClN5O3
• Molecular Weight: 544.06 g/mol
• Exact Mass: 543.20
• IUPAC Name: [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone
• SMILES: O=C(C1CCCC1)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4cccc(Cl)c4)cn23)CC1
• InChI: InChI=1S/C30H30ClN5O3/c31-25-7-3-6-23(18-25)24-10-13-28-32-29(21-8-11-26(12-9-21)36(38)39)27(35(28)19-24)20-33-14-16-34(17-15-33)30(37)22-4-1-2-5-22/h3,6-13,18-19,22H,1-2,4-5,14-17,20H2
• InChIKey: PMVPYVLDHZGEBU-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 83.99 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.06
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?

The IUPAC name of [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone (CID 83290102) is [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone.

What is the SMILES notation for [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?

The canonical SMILES for [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone is O=C(C1CCCC1)N1CCN(Cc2c(-c3ccc([N+](=O)[O-])cc3)nc3ccc(-c4cccc(Cl)c4)cn23)CC1.

What is the InChIKey of [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?

The InChIKey is PMVPYVLDHZGEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN5O3/c31-25-7-3-6-23(18-25)24-10-13-28-32-29(21-8-11-26(12-9-21)36(38)39)27(35(28)19-24)20-33-14-16-34(17-15-33)30(37)22-4-1-2-5-22/h3,6-13,18-19,22H,1-2,4-5,14-17,20H2.

What are the key properties of [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone?

[4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone has a molecular weight of 544.06 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[6-(3-chlorophenyl)-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 83290102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).