N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C23H24FN5O — CID 138742636

About N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 138742636) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

• Compound Name: N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
• PubChem CID: 138742636
• Molecular Formula: C23H24FN5O
• Molecular Weight: 405.48 g/mol
• Exact Mass: 405.20
• IUPAC Name: N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
• SMILES: COc1cccc(F)c1CNc1ccc(-c2cnc(C(C)C)cc2C)c2nncn12
• InChI: InChI=1S/C23H24FN5O/c1-14(2)20-10-15(3)17(11-25-20)16-8-9-22(29-13-27-28-23(16)29)26-12-18-19(24)6-5-7-21(18)30-4/h5-11,13-14,26H,12H2,1-4H3
• InChIKey: YYJCKGYPWQQJKV-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 64.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.48
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 138742636) is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

What is the SMILES notation for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1cccc(F)c1CNc1ccc(-c2cnc(C(C)C)cc2C)c2nncn12.

What is the InChIKey of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The InChIKey is YYJCKGYPWQQJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-14(2)20-10-15(3)17(11-25-20)16-8-9-22(29-13-27-28-23(16)29)26-12-18-19(24)6-5-7-21(18)30-4/h5-11,13-14,26H,12H2,1-4H3.

What are the key properties of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 405.48 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(4-methyl-6-propan-2-yl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 138742636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).