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

C24H23FN6O — CID 134075507

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

N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 134075507) has the molecular formula C24H23FN6O and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 134075507
• Molecular Formula: C24H23FN6O
• Molecular Weight: 430.49 g/mol
• Exact Mass: 430.19
• IUPAC Name: N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: O=C(NCc1cccc(F)c1)c1ccc2nnc(C3CCN(Cc4cccnc4)C3)n2c1
• InChI: InChI=1S/C24H23FN6O/c25-21-5-1-3-17(11-21)13-27-24(32)20-6-7-22-28-29-23(31(22)16-20)19-8-10-30(15-19)14-18-4-2-9-26-12-18/h1-7,9,11-12,16,19H,8,10,13-15H2,(H,27,32)
• InChIKey: BYAMBXFNHHONJE-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 75.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.49
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 134075507) is N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

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

The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is O=C(NCc1cccc(F)c1)c1ccc2nnc(C3CCN(Cc4cccnc4)C3)n2c1.

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

The InChIKey is BYAMBXFNHHONJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O/c25-21-5-1-3-17(11-21)13-27-24(32)20-6-7-22-28-29-23(31(22)16-20)19-8-10-30(15-19)14-18-4-2-9-26-12-18/h1-7,9,11-12,16,19H,8,10,13-15H2,(H,27,32).

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

N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)methyl]-3-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 134075507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).