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

C24H25N7O — CID 97448188

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

N-(2-pyridin-3-ylethyl)-3-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 97448188) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)-3-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-pyridin-3-ylethyl)-3-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 97448188
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: N-(2-pyridin-3-ylethyl)-3-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: O=C(NCCc1cccnc1)c1ccc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2c1
• InChI: InChI=1S/C24H25N7O/c32-24(27-11-7-18-3-1-9-25-13-18)21-5-6-22-28-29-23(31(22)17-21)20-8-12-30(16-20)15-19-4-2-10-26-14-19/h1-6,9-10,13-14,17,20H,7-8,11-12,15-16H2,(H,27,32)/t20-/m1/s1
• InChIKey: SSGNPLWEFMRIDL-HXUWFJFHSA-N
• XLogP: 2.48
• TPSA: 88.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2-pyridin-3-ylethyl)-3-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 97448188) is N-(2-pyridin-3-ylethyl)-3-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

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

The canonical SMILES for N-(2-pyridin-3-ylethyl)-3-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCCc1cccnc1)c1ccc2nnc([C@@H]3CCN(Cc4cccnc4)C3)n2c1.

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

The InChIKey is SSGNPLWEFMRIDL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N7O/c32-24(27-11-7-18-3-1-9-25-13-18)21-5-6-22-28-29-23(31(22)17-21)20-8-12-30(16-20)15-19-4-2-10-26-14-19/h1-6,9-10,13-14,17,20H,7-8,11-12,15-16H2,(H,27,32)/t20-/m1/s1.

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

N-(2-pyridin-3-ylethyl)-3-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 427.51 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-pyridin-3-ylethyl)-3-[(3R)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 97448188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).