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

C21H20FN5O2 — CID 146458356

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

N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 146458356) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

• Compound Name: N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
• PubChem CID: 146458356
• Molecular Formula: C21H20FN5O2
• Molecular Weight: 393.42 g/mol
• Exact Mass: 393.16
• IUPAC Name: N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
• SMILES: COc1ccc(-c2ccc(NCc3c(F)cccc3OC)n3cnnc23)c(C)n1
• InChI: InChI=1S/C21H20FN5O2/c1-13-14(8-10-20(25-13)29-3)15-7-9-19(27-12-24-26-21(15)27)23-11-16-17(22)5-4-6-18(16)28-2/h4-10,12,23H,11H2,1-3H3
• InChIKey: AYOPGPNMNPXFBF-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 73.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.42
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 146458356) is N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-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-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The canonical SMILES for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1ccc(-c2ccc(NCc3c(F)cccc3OC)n3cnnc23)c(C)n1.

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

The InChIKey is AYOPGPNMNPXFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-13-14(8-10-20(25-13)29-3)15-7-9-19(27-12-24-26-21(15)27)23-11-16-17(22)5-4-6-18(16)28-2/h4-10,12,23H,11H2,1-3H3.

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

N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 393.42 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluoro-6-methoxyphenyl)methyl]-8-(6-methoxy-2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 146458356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).