1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C22H23N7OS — CID 26232495

About 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26232495) has the molecular formula C22H23N7OS and a molecular weight of 433.54 g/mol. Its IUPAC name is 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26232495
• Molecular Formula: C22H23N7OS
• Molecular Weight: 433.54 g/mol
• Exact Mass: 433.17
• IUPAC Name: 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(Cc1cn[nH]c1)CC2
• InChI: InChI=1S/C22H23N7OS/c30-22(24-12-20-23-7-9-31-20)21-18-15-28(13-17-10-25-26-11-17)8-6-19(18)29(27-21)14-16-4-2-1-3-5-16/h1-5,7,9-11H,6,8,12-15H2,(H,24,30)(H,25,26)
• InChIKey: HOAHUTBVEIJBOS-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 91.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.54
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26232495) is 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(Cc1cn[nH]c1)CC2.

What is the InChIKey of 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is HOAHUTBVEIJBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS/c30-22(24-12-20-23-7-9-31-20)21-18-15-28(13-17-10-25-26-11-17)8-6-19(18)29(27-21)14-16-4-2-1-3-5-16/h1-5,7,9-11H,6,8,12-15H2,(H,24,30)(H,25,26).

What are the key properties of 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 433.54 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-(1H-pyrazol-4-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26232495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).