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

C24H23FN6O2 — CID 138741964

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

8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 138741964) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

• Compound Name: 8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
• PubChem CID: 138741964
• Molecular Formula: C24H23FN6O2
• Molecular Weight: 446.49 g/mol
• Exact Mass: 446.19
• IUPAC Name: 8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
• SMILES: COc1cccc(F)c1CNc1ccc(-c2cncc(C3=NC(C)(C)CO3)c2)c2nncn12
• InChI: InChI=1S/C24H23FN6O2/c1-24(2)13-33-23(29-24)16-9-15(10-26-11-16)17-7-8-21(31-14-28-30-22(17)31)27-12-18-19(25)5-4-6-20(18)32-3/h4-11,14,27H,12-13H2,1-3H3
• InChIKey: NUGWNDSWGPNZNO-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 85.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.49
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 138741964) is 8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

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

The canonical SMILES for 8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1cccc(F)c1CNc1ccc(-c2cncc(C3=NC(C)(C)CO3)c2)c2nncn12.

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

The InChIKey is NUGWNDSWGPNZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-24(2)13-33-23(29-24)16-9-15(10-26-11-16)17-7-8-21(31-14-28-30-22(17)31)27-12-18-19(25)5-4-6-20(18)32-3/h4-11,14,27H,12-13H2,1-3H3.

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

8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 446.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-N-[(2-fluoro-6-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 138741964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).