2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

C25H25F3N6O — CID 156830119

About 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide

2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (PubChem CID 156830119) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
• PubChem CID: 156830119
• Molecular Formula: C25H25F3N6O
• Molecular Weight: 482.51 g/mol
• Exact Mass: 482.20
• IUPAC Name: 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
• SMILES: Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H](C)[C@@H](C)n3cccn3)ccc2nc1N
• InChI: InChI=1S/C25H25F3N6O/c1-15-11-19-12-18(5-8-22(19)32-23(15)29)24(35)33(16(2)17(3)34-10-4-9-31-34)14-21-7-6-20(13-30-21)25(26,27)28/h4-13,16-17H,14H2,1-3H3,(H2,29,32)/t16-,17+/m0/s1
• InChIKey: SPKZGKUUDJFOTP-DLBZAZTESA-N
• XLogP: 5.03
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.51
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The IUPAC name of 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide (CID 156830119) is 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide.

What is the SMILES notation for 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The canonical SMILES for 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C(F)(F)F)cn3)[C@@H](C)[C@@H](C)n3cccn3)ccc2nc1N.

What is the InChIKey of 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

The InChIKey is SPKZGKUUDJFOTP-DLBZAZTESA-N. The full InChI is InChI=1S/C25H25F3N6O/c1-15-11-19-12-18(5-8-22(19)32-23(15)29)24(35)33(16(2)17(3)34-10-4-9-31-34)14-21-7-6-20(13-30-21)25(26,27)28/h4-13,16-17H,14H2,1-3H3,(H2,29,32)/t16-,17+/m0/s1.

What are the key properties of 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide?

2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide has a molecular weight of 482.51 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-methyl-N-[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).