1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C26H37N7O3 — CID 53018139

About 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53018139) has the molecular formula C26H37N7O3 and a molecular weight of 495.63 g/mol. Its IUPAC name is 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 53018139
• Molecular Formula: C26H37N7O3
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.30
• IUPAC Name: 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CN1CCN(CCCNC(=O)CCC(=O)N2CCc3c(c(C(=O)Nc4ccccc4)nn3C)C2)CC1
• InChI: InChI=1S/C26H37N7O3/c1-30-15-17-32(18-16-30)13-6-12-27-23(34)9-10-24(35)33-14-11-22-21(19-33)25(29-31(22)2)26(36)28-20-7-4-3-5-8-20/h3-5,7-8H,6,9-19H2,1-2H3,(H,27,34)(H,28,36)
• InChIKey: RANNHJCDSHUSNS-UHFFFAOYSA-N
• XLogP: 1.09
• TPSA: 102.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	1.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 53018139) is 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CN1CCN(CCCNC(=O)CCC(=O)N2CCc3c(c(C(=O)Nc4ccccc4)nn3C)C2)CC1.

What is the InChIKey of 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is RANNHJCDSHUSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O3/c1-30-15-17-32(18-16-30)13-6-12-27-23(34)9-10-24(35)33-14-11-22-21(19-33)25(29-31(22)2)26(36)28-20-7-4-3-5-8-20/h3-5,7-8H,6,9-19H2,1-2H3,(H,27,34)(H,28,36).

What are the key properties of 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-[4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxobutanoyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53018139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).