1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone

C91H75ClF9N17O4 — CID 157446304

About 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone

1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone (PubChem CID 157446304) has the molecular formula C91H75ClF9N17O4 and a molecular weight of 1677.15 g/mol. Its IUPAC name is 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone.

Molecular Properties

• Compound Name: 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone
• PubChem CID: 157446304
• Molecular Formula: C91H75ClF9N17O4
• Molecular Weight: 1677.15 g/mol
• Exact Mass: 1675.57
• IUPAC Name: 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone
• SMILES: CC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3cc(C4CC4)nc(C(F)(F)F)c3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3cc(Cl)nc(C(F)(F)F)c3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3cccc(C(F)(F)F)n3)cc2n1.Cc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cc(C)n1
• InChI: InChI=1S/C25H21F3N4O.C22H16ClF3N4O.C22H17F3N4O.C22H21N5O/c1-14(33)21-11-20(18-12-29-32(2)13-18)19-6-3-15(8-23(19)30-21)7-16-9-22(17-4-5-17)31-24(10-16)25(26,27)28;1-12(31)18-9-17(15-10-27-30(2)11-15)16-4-3-13(6-19(16)28-18)5-14-7-20(22(24,25)26)29-21(23)8-14;1-13(30)19-10-18(15-11-26-29(2)12-15)17-7-6-14(9-20(17)28-19)8-16-4-3-5-21(27-16)22(23,24)25;1-13-6-16(7-14(2)25-13)8-15-4-5-18-19(17-11-24-27(3)12-17)10-21(22(23)28)26-20(18)9-15/h3,6,8-13,17H,4-5,7H2,1-2H3;3-4,6-11H,5H2,1-2H3;3-7,9-12H,8H2,1-2H3;4-7,9-12H,8H2,1-3H3,(H2,23,28)
• InChIKey: BSGNAULWIBWXRC-UHFFFAOYSA-N
• XLogP: 19.40
• TPSA: 268.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1677.15
LogP ≤ 5	19.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone?

The IUPAC name of 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone (CID 157446304) is 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone.

What is the SMILES notation for 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone?

The canonical SMILES for 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone is CC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3cc(C4CC4)nc(C(F)(F)F)c3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3cc(Cl)nc(C(F)(F)F)c3)cc2n1.CC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3cccc(C(F)(F)F)n3)cc2n1.Cc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cc(C)n1.

What is the InChIKey of 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone?

The InChIKey is BSGNAULWIBWXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O.C22H16ClF3N4O.C22H17F3N4O.C22H21N5O/c1-14(33)21-11-20(18-12-29-32(2)13-18)19-6-3-15(8-23(19)30-21)7-16-9-22(17-4-5-17)31-24(10-16)25(26,27)28;1-12(31)18-9-17(15-10-27-30(2)11-15)16-4-3-13(6-19(16)28-18)5-14-7-20(22(24,25)26)29-21(23)8-14;1-13(30)19-10-18(15-11-26-29(2)12-15)17-7-6-14(9-20(17)28-19)8-16-4-3-5-21(27-16)22(23,24)25;1-13-6-16(7-14(2)25-13)8-15-4-5-18-19(17-11-24-27(3)12-17)10-21(22(23)28)26-20(18)9-15/h3,6,8-13,17H,4-5,7H2,1-2H3;3-4,6-11H,5H2,1-2H3;3-7,9-12H,8H2,1-2H3;4-7,9-12H,8H2,1-3H3,(H2,23,28).

What are the key properties of 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone?

1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone has a molecular weight of 1677.15 g/mol, XLogP of 19.40, 17 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;1-[7-[[2-cyclopropyl-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinolin-2-yl]ethanone;7-[(2,6-dimethyl-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;1-[4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinolin-2-yl]ethanone is sourced from PubChem (CID 157446304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).