4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid

C24H25N7O4 — CID 86764282

About 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid

4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 86764282) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
• PubChem CID: 86764282
• Molecular Formula: C24H25N7O4
• Molecular Weight: 475.51 g/mol
• Exact Mass: 475.20
• IUPAC Name: 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
• SMILES: COc1cnc(-c2nn(Cc3c(C)noc3C)c(C3CC3)c2C)nc1Nc1ccncc1C(=O)O
• InChI: InChI=1S/C24H25N7O4/c1-12-20(29-31(21(12)15-5-6-15)11-17-13(2)30-35-14(17)3)23-26-10-19(34-4)22(28-23)27-18-7-8-25-9-16(18)24(32)33/h7-10,15H,5-6,11H2,1-4H3,(H,32,33)(H,25,26,27,28)
• InChIKey: JLSFEGFHCJIKFV-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 141.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.51
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?

The IUPAC name of 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid (CID 86764282) is 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid.

What is the SMILES notation for 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?

The canonical SMILES for 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid is COc1cnc(-c2nn(Cc3c(C)noc3C)c(C3CC3)c2C)nc1Nc1ccncc1C(=O)O.

What is the InChIKey of 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?

The InChIKey is JLSFEGFHCJIKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-12-20(29-31(21(12)15-5-6-15)11-17-13(2)30-35-14(17)3)23-26-10-19(34-4)22(28-23)27-18-7-8-25-9-16(18)24(32)33/h7-10,15H,5-6,11H2,1-4H3,(H,32,33)(H,25,26,27,28).

What are the key properties of 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?

4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 475.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-[5-cyclopropyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyrazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 86764282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).