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

C25H29N5O2S — CID 26213803

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

1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 26213803) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is 1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 26213803
• Molecular Formula: C25H29N5O2S
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.20
• IUPAC Name: 1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(C(=O)CC1CCCC1)CC2
• InChI: InChI=1S/C25H29N5O2S/c31-23(14-18-6-4-5-7-18)29-12-10-21-20(17-29)24(25(32)27-15-22-26-11-13-33-22)28-30(21)16-19-8-2-1-3-9-19/h1-3,8-9,11,13,18H,4-7,10,12,14-17H2,(H,27,32)
• InChIKey: VNKSFDHDYKQQGD-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 26213803) is 1-benzyl-5-(2-cyclopentylacetyl)-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-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is O=C(NCc1nccs1)c1nn(Cc2ccccc2)c2c1CN(C(=O)CC1CCCC1)CC2.

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

The InChIKey is VNKSFDHDYKQQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c31-23(14-18-6-4-5-7-18)29-12-10-21-20(17-29)24(25(32)27-15-22-26-11-13-33-22)28-30(21)16-19-8-2-1-3-9-19/h1-3,8-9,11,13,18H,4-7,10,12,14-17H2,(H,27,32).

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

1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 463.61 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-(2-cyclopentylacetyl)-N-(1,3-thiazol-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 26213803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).