N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C20H23N5O3S2 — CID 26138834

About N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26138834) has the molecular formula C20H23N5O3S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26138834
• Molecular Formula: C20H23N5O3S2
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.12
• IUPAC Name: N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COCCCNC(=O)c1nn(C)c2c1CN(C(=O)c1csc(-c3cccs3)n1)CC2
• InChI: InChI=1S/C20H23N5O3S2/c1-24-15-6-8-25(11-13(15)17(23-24)18(26)21-7-4-9-28-2)20(27)14-12-30-19(22-14)16-5-3-10-29-16/h3,5,10,12H,4,6-9,11H2,1-2H3,(H,21,26)
• InChIKey: FHGXYDUKIZVPSA-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26138834) is N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COCCCNC(=O)c1nn(C)c2c1CN(C(=O)c1csc(-c3cccs3)n1)CC2.

What is the InChIKey of N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is FHGXYDUKIZVPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S2/c1-24-15-6-8-25(11-13(15)17(23-24)18(26)21-7-4-9-28-2)20(27)14-12-30-19(22-14)16-5-3-10-29-16/h3,5,10,12H,4,6-9,11H2,1-2H3,(H,21,26).

What are the key properties of N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-1-methyl-5-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26138834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).