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

C24H26N6OS — CID 26222853

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

1-(cyclopropylmethyl)-5-(1H-indol-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26222853) has the molecular formula C24H26N6OS and a molecular weight of 446.58 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(1H-indol-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclopropylmethyl)-5-(1H-indol-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26222853
• Molecular Formula: C24H26N6OS
• Molecular Weight: 446.58 g/mol
• Exact Mass: 446.19
• IUPAC Name: 1-(cyclopropylmethyl)-5-(1H-indol-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(Cc1cc3ccccc3[nH]1)CC2
• InChI: InChI=1S/C24H26N6OS/c31-24(26-12-22-25-8-10-32-22)23-19-15-29(9-7-21(19)30(28-23)13-16-5-6-16)14-18-11-17-3-1-2-4-20(17)27-18/h1-4,8,10-11,16,27H,5-7,9,12-15H2,(H,26,31)
• InChIKey: RXMMCOMYPNHYBV-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 78.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.58
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-(cyclopropylmethyl)-5-(1H-indol-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26222853) is 1-(cyclopropylmethyl)-5-(1H-indol-2-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-(cyclopropylmethyl)-5-(1H-indol-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(cyclopropylmethyl)-5-(1H-indol-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1nccs1)c1nn(CC2CC2)c2c1CN(Cc1cc3ccccc3[nH]1)CC2.

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

The InChIKey is RXMMCOMYPNHYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6OS/c31-24(26-12-22-25-8-10-32-22)23-19-15-29(9-7-21(19)30(28-23)13-16-5-6-16)14-18-11-17-3-1-2-4-20(17)27-18/h1-4,8,10-11,16,27H,5-7,9,12-15H2,(H,26,31).

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

1-(cyclopropylmethyl)-5-(1H-indol-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 446.58 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclopropylmethyl)-5-(1H-indol-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26222853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).