[6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C24H25ClN6O — CID 42596232

About [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

[6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 42596232) has the molecular formula C24H25ClN6O and a molecular weight of 448.96 g/mol. Its IUPAC name is [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

• Compound Name: [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
• PubChem CID: 42596232
• Molecular Formula: C24H25ClN6O
• Molecular Weight: 448.96 g/mol
• Exact Mass: 448.18
• IUPAC Name: [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
• SMILES: O=C(c1nc2ccc(Cl)cn2c1CNCCCn1cccn1)N1CCc2ccccc2C1
• InChI: InChI=1S/C24H25ClN6O/c25-20-7-8-22-28-23(24(32)29-14-9-18-5-1-2-6-19(18)16-29)21(31(22)17-20)15-26-10-3-12-30-13-4-11-27-30/h1-2,4-8,11,13,17,26H,3,9-10,12,14-16H2
• InChIKey: SJATYFJWDLTMGJ-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 67.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.96
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?

The IUPAC name of [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 42596232) is [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

What is the SMILES notation for [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?

The canonical SMILES for [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1nc2ccc(Cl)cn2c1CNCCCn1cccn1)N1CCc2ccccc2C1.

What is the InChIKey of [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?

The InChIKey is SJATYFJWDLTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O/c25-20-7-8-22-28-23(24(32)29-14-9-18-5-1-2-6-19(18)16-29)21(31(22)17-20)15-26-10-3-12-30-13-4-11-27-30/h1-2,4-8,11,13,17,26H,3,9-10,12,14-16H2.

What are the key properties of [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?

[6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 448.96 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [6-chloro-3-[(3-pyrazol-1-ylpropylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 42596232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).