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

C19H19FN6O2 — CID 138742119

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

2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol (PubChem CID 138742119) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol
• PubChem CID: 138742119
• Molecular Formula: C19H19FN6O2
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.16
• IUPAC Name: 2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol
• SMILES: COc1cccc(F)c1CNc1ccc(-c2cnn(CCO)c2)c2nncn12
• InChI: InChI=1S/C19H19FN6O2/c1-28-17-4-2-3-16(20)15(17)10-21-18-6-5-14(19-24-22-12-26(18)19)13-9-23-25(11-13)7-8-27/h2-6,9,11-12,21,27H,7-8,10H2,1H3
• InChIKey: UHUVYWVMOBGKDF-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 89.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.40
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol (CID 138742119) is 2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol.

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

The canonical SMILES for 2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol is COc1cccc(F)c1CNc1ccc(-c2cnn(CCO)c2)c2nncn12.

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

The InChIKey is UHUVYWVMOBGKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-28-17-4-2-3-16(20)15(17)10-21-18-6-5-14(19-24-22-12-26(18)19)13-9-23-25(11-13)7-8-27/h2-6,9,11-12,21,27H,7-8,10H2,1H3.

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

2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol has a molecular weight of 382.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[(2-fluoro-6-methoxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 138742119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).