2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide

C25H22F3N7O — CID 130423239

About 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130423239) has the molecular formula C25H22F3N7O and a molecular weight of 493.49 g/mol. Its IUPAC name is 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
• PubChem CID: 130423239
• Molecular Formula: C25H22F3N7O
• Molecular Weight: 493.49 g/mol
• Exact Mass: 493.18
• IUPAC Name: 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
• SMILES: Cc1ncc(NC(=O)Cc2ccc(-c3cnc(Nc4cnn(C5CC5)c4)nc3)cc2)cc1C(F)(F)F
• InChI: InChI=1S/C25H22F3N7O/c1-15-22(25(26,27)28)9-19(12-29-15)33-23(36)8-16-2-4-17(5-3-16)18-10-30-24(31-11-18)34-20-13-32-35(14-20)21-6-7-21/h2-5,9-14,21H,6-8H2,1H3,(H,33,36)(H,30,31,34)
• InChIKey: BZNFIIZTRYCDDJ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 97.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.49
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The IUPAC name of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130423239) is 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The canonical SMILES for 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide is Cc1ncc(NC(=O)Cc2ccc(-c3cnc(Nc4cnn(C5CC5)c4)nc3)cc2)cc1C(F)(F)F.

What is the InChIKey of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The InChIKey is BZNFIIZTRYCDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O/c1-15-22(25(26,27)28)9-19(12-29-15)33-23(36)8-16-2-4-17(5-3-16)18-10-30-24(31-11-18)34-20-13-32-35(14-20)21-6-7-21/h2-5,9-14,21H,6-8H2,1H3,(H,33,36)(H,30,31,34).

What are the key properties of 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?

2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 493.49 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130423239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).