[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol

C24H23FN8O — CID 144691273

About [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol

[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol (PubChem CID 144691273) has the molecular formula C24H23FN8O and a molecular weight of 458.50 g/mol. Its IUPAC name is [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol.

Molecular Properties

• Compound Name: [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol
• PubChem CID: 144691273
• Molecular Formula: C24H23FN8O
• Molecular Weight: 458.50 g/mol
• Exact Mass: 458.20
• IUPAC Name: [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol
• SMILES: Cc1ncc(C)c(-c2cnn(C)c2C(O)Nc2cc3nc(-c4ccccc4C)nn3cc2F)n1
• InChI: InChI=1S/C24H23FN8O/c1-13-7-5-6-8-16(13)23-30-20-9-19(18(25)12-33(20)31-23)29-24(34)22-17(11-27-32(22)4)21-14(2)10-26-15(3)28-21/h5-12,24,29,34H,1-4H3
• InChIKey: SPJPANYQALZTMQ-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 106.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.50
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol?

The IUPAC name of [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol (CID 144691273) is [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol.

What is the SMILES notation for [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol?

The canonical SMILES for [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol is Cc1ncc(C)c(-c2cnn(C)c2C(O)Nc2cc3nc(-c4ccccc4C)nn3cc2F)n1.

What is the InChIKey of [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol?

The InChIKey is SPJPANYQALZTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O/c1-13-7-5-6-8-16(13)23-30-20-9-19(18(25)12-33(20)31-23)29-24(34)22-17(11-27-32(22)4)21-14(2)10-26-15(3)28-21/h5-12,24,29,34H,1-4H3.

What are the key properties of [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol?

[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol has a molecular weight of 458.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-[[6-fluoro-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]amino]methanol is sourced from PubChem (CID 144691273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).