1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one

C23H21FN6O2 — CID 138742612

About 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one

1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one (PubChem CID 138742612) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one
• PubChem CID: 138742612
• Molecular Formula: C23H21FN6O2
• Molecular Weight: 432.46 g/mol
• Exact Mass: 432.17
• IUPAC Name: 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one
• SMILES: COc1cccc(F)c1CNc1ccc(-c2ccc(N3CCCC3=O)nc2)c2nncn12
• InChI: InChI=1S/C23H21FN6O2/c1-32-19-5-2-4-18(24)17(19)13-26-21-10-8-16(23-28-27-14-30(21)23)15-7-9-20(25-12-15)29-11-3-6-22(29)31/h2,4-5,7-10,12,14,26H,3,6,11,13H2,1H3
• InChIKey: BWNVEYHZHDZCQA-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.46
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one?

The IUPAC name of 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one (CID 138742612) is 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one?

The canonical SMILES for 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one is COc1cccc(F)c1CNc1ccc(-c2ccc(N3CCCC3=O)nc2)c2nncn12.

What is the InChIKey of 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one?

The InChIKey is BWNVEYHZHDZCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-32-19-5-2-4-18(24)17(19)13-26-21-10-8-16(23-28-27-14-30(21)23)15-7-9-20(25-12-15)29-11-3-6-22(29)31/h2,4-5,7-10,12,14,26H,3,6,11,13H2,1H3.

What are the key properties of 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one?

1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one has a molecular weight of 432.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 138742612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).