N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H25N5O3S — CID 26228065

About N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26228065) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26228065
• Molecular Formula: C23H25N5O3S
• Molecular Weight: 451.55 g/mol
• Exact Mass: 451.17
• IUPAC Name: N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2cncs2)C3)cc1
• InChI: InChI=1S/C23H25N5O3S/c1-31-17-6-2-15(3-7-17)8-11-28-19-9-10-27(23(30)20-12-24-14-32-20)13-18(19)21(26-28)22(29)25-16-4-5-16/h2-3,6-7,12,14,16H,4-5,8-11,13H2,1H3,(H,25,29)
• InChIKey: WZQOVVDWXBVCAT-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.55
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26228065) is N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(CCn2nc(C(=O)NC3CC3)c3c2CCN(C(=O)c2cncs2)C3)cc1.

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

The InChIKey is WZQOVVDWXBVCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-31-17-6-2-15(3-7-17)8-11-28-19-9-10-27(23(30)20-12-24-14-32-20)13-18(19)21(26-28)22(29)25-16-4-5-16/h2-3,6-7,12,14,16H,4-5,8-11,13H2,1H3,(H,25,29).

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

N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-1-[2-(4-methoxyphenyl)ethyl]-5-(1,3-thiazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26228065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).