3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C23H24N6OS — CID 97448190

About 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97448190) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 97448190
• Molecular Formula: C23H24N6OS
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.17
• IUPAC Name: 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: O=C(NCCc1cccs1)c1ccc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2c1
• InChI: InChI=1S/C23H24N6OS/c30-23(25-10-7-20-4-2-12-31-20)19-5-6-21-26-27-22(29(21)16-19)18-8-11-28(15-18)14-17-3-1-9-24-13-17/h1-6,9,12-13,16,18H,7-8,10-11,14-15H2,(H,25,30)/t18-/m0/s1
• InChIKey: BBFQEKKYAHDENR-SFHVURJKSA-N
• XLogP: 3.15
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97448190) is 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCCc1cccs1)c1ccc2nnc([C@H]3CCN(Cc4cccnc4)C3)n2c1.

What is the InChIKey of 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is BBFQEKKYAHDENR-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N6OS/c30-23(25-10-7-20-4-2-12-31-20)19-5-6-21-26-27-22(29(21)16-19)18-8-11-28(15-18)14-17-3-1-9-24-13-17/h1-6,9,12-13,16,18H,7-8,10-11,14-15H2,(H,25,30)/t18-/m0/s1.

What are the key properties of 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97448190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).