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

C28H25N5O2S — CID 26234086

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

1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26234086) has the molecular formula C28H25N5O2S and a molecular weight of 495.61 g/mol. Its IUPAC name is 1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26234086
• Molecular Formula: C28H25N5O2S
• Molecular Weight: 495.61 g/mol
• Exact Mass: 495.17
• IUPAC Name: 1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CN(Cc1cscn1)C(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)C#Cc1ccccc1)CC2
• InChI: InChI=1S/C28H25N5O2S/c1-31(17-23-19-36-20-29-23)28(35)27-24-18-32(26(34)13-12-21-8-4-2-5-9-21)15-14-25(24)33(30-27)16-22-10-6-3-7-11-22/h2-11,19-20H,14-18H2,1H3
• InChIKey: PYPNGWJRZQXFSM-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 71.33 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.61
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26234086) is 1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

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

The canonical SMILES for 1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CN(Cc1cscn1)C(=O)c1nn(Cc2ccccc2)c2c1CN(C(=O)C#Cc1ccccc1)CC2.

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

The InChIKey is PYPNGWJRZQXFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2S/c1-31(17-23-19-36-20-29-23)28(35)27-24-18-32(26(34)13-12-21-8-4-2-5-9-21)15-14-25(24)33(30-27)16-22-10-6-3-7-11-22/h2-11,19-20H,14-18H2,1H3.

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

1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-methyl-5-(3-phenylprop-2-ynoyl)-N-(1,3-thiazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26234086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).