7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide

C130H107ClF9N31O7 — CID 158852866

About 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide

7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide (PubChem CID 158852866) has the molecular formula C130H107ClF9N31O7 and a molecular weight of 2421.93 g/mol. Its IUPAC name is 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide
• PubChem CID: 158852866
• Molecular Formula: C130H107ClF9N31O7
• Molecular Weight: 2421.93 g/mol
• Exact Mass: 2419.85
• IUPAC Name: 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide
• SMILES: CC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3cc(C4CC4)nc(C(F)(F)F)c3)cc2n1.COc1ncc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1.Cc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cc(C)n1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cc(Cl)nc(C(F)(F)F)c4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cccc(C(F)(F)F)n4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4ccnc(C#N)c4)ccc23)cn1
• InChI: InChI=1S/C25H21F3N4O.C22H21N5O.C21H15ClF3N5O.C21H16F3N5O.C21H16N6O.C20H18N6O2/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;1-13-6-16(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;1-30-10-13(9-27-30)15-8-17(20(26)31)28-16-5-11(2-3-14(15)16)4-12-6-18(21(23,24)25)29-19(22)7-12;1-29-11-13(10-26-29)16-9-18(20(25)30)28-17-8-12(5-6-15(16)17)7-14-3-2-4-19(27-14)21(22,23)24;1-27-12-15(11-25-27)18-9-20(21(23)28)26-19-8-13(2-3-17(18)19)6-14-4-5-24-16(7-14)10-22;1-26-11-14(10-24-26)16-7-18(19(21)27)25-17-6-12(3-4-15(16)17)5-13-8-22-20(28-2)23-9-13/h3,6,8-13,17H,4-5,7H2,1-2H3;4-7,9-12H,8H2,1-3H3,(H2,23,28);2-3,5-10H,4H2,1H3,(H2,26,31);2-6,8-11H,7H2,1H3,(H2,25,30);2-5,7-9,11-12H,6H2,1H3,(H2,23,28);3-4,6-11H,5H2,1-2H3,(H2,21,27)
• InChIKey: IZRIIRFALXGCKX-UHFFFAOYSA-N
• XLogP: 21.90
• TPSA: 540.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2421.93
LogP ≤ 5	21.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide?

The IUPAC name of 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide (CID 158852866) is 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide.

What is the SMILES notation for 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide?

The canonical SMILES for 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide is CC(=O)c1cc(-c2cnn(C)c2)c2ccc(Cc3cc(C4CC4)nc(C(F)(F)F)c3)cc2n1.COc1ncc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1.Cc1cc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cc(C)n1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cc(Cl)nc(C(F)(F)F)c4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cccc(C(F)(F)F)n4)ccc23)cn1.Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4ccnc(C#N)c4)ccc23)cn1.

What is the InChIKey of 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide?

The InChIKey is IZRIIRFALXGCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O.C22H21N5O.C21H15ClF3N5O.C21H16F3N5O.C21H16N6O.C20H18N6O2/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;1-13-6-16(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;1-30-10-13(9-27-30)15-8-17(20(26)31)28-16-5-11(2-3-14(15)16)4-12-6-18(21(23,24)25)29-19(22)7-12;1-29-11-13(10-26-29)16-9-18(20(25)30)28-17-8-12(5-6-15(16)17)7-14-3-2-4-19(27-14)21(22,23)24;1-27-12-15(11-25-27)18-9-20(21(23)28)26-19-8-13(2-3-17(18)19)6-14-4-5-24-16(7-14)10-22;1-26-11-14(10-24-26)16-7-18(19(21)27)25-17-6-12(3-4-15(16)17)5-13-8-22-20(28-2)23-9-13/h3,6,8-13,17H,4-5,7H2,1-2H3;4-7,9-12H,8H2,1-3H3,(H2,23,28);2-3,5-10H,4H2,1H3,(H2,26,31);2-6,8-11H,7H2,1H3,(H2,25,30);2-5,7-9,11-12H,6H2,1H3,(H2,23,28);3-4,6-11H,5H2,1-2H3,(H2,21,27).

What are the key properties of 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide?

7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide has a molecular weight of 2421.93 g/mol, XLogP of 21.90, 26 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-chloro-6-(trifluoromethyl)-4-pyridinyl]methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2-cyano-4-pyridinyl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;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;7-[(2-methoxypyrimidin-5-yl)methyl]-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;4-(1-methylpyrazol-4-yl)-7-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 158852866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).