formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide

C25H25F3N6O4 — CID 144865215

About formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide

formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide (PubChem CID 144865215) has the molecular formula C25H25F3N6O4 and a molecular weight of 530.51 g/mol. Its IUPAC name is formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
• PubChem CID: 144865215
• Molecular Formula: C25H25F3N6O4
• Molecular Weight: 530.51 g/mol
• Exact Mass: 530.19
• IUPAC Name: formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide
• SMILES: Cc1cc(C(=O)Nc2c(C(F)(F)F)nn(Cc3nc(C(=O)C(C)C)co3)c2C)c2ccccc2n1.NC=O
• InChI: InChI=1S/C24H22F3N5O3.CH3NO/c1-12(2)21(33)18-11-35-19(29-18)10-32-14(4)20(22(31-32)24(25,26)27)30-23(34)16-9-13(3)28-17-8-6-5-7-15(16)17;2-1-3/h5-9,11-12H,10H2,1-4H3,(H,30,34);1H,(H2,2,3)
• InChIKey: RFGZKKLZVSPNEO-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 146.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.51
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?

The IUPAC name of formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide (CID 144865215) is formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide.

What is the SMILES notation for formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?

The canonical SMILES for formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide is Cc1cc(C(=O)Nc2c(C(F)(F)F)nn(Cc3nc(C(=O)C(C)C)co3)c2C)c2ccccc2n1.NC=O.

What is the InChIKey of formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?

The InChIKey is RFGZKKLZVSPNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3.CH3NO/c1-12(2)21(33)18-11-35-19(29-18)10-32-14(4)20(22(31-32)24(25,26)27)30-23(34)16-9-13(3)28-17-8-6-5-7-15(16)17;2-1-3/h5-9,11-12H,10H2,1-4H3,(H,30,34);1H,(H2,2,3).

What are the key properties of formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide?

formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide has a molecular weight of 530.51 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for formamide;2-methyl-N-[5-methyl-1-[[4-(2-methylpropanoyl)-1,3-oxazol-2-yl]methyl]-3-(trifluoromethyl)pyrazol-4-yl]quinoline-4-carboxamide is sourced from PubChem (CID 144865215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).