(3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one

C123H126F9N25O6 — CID 161499687

About (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one

(3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one (PubChem CID 161499687) has the molecular formula C123H126F9N25O6 and a molecular weight of 2221.51 g/mol. Its IUPAC name is (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one.

Molecular Properties

• Compound Name: (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one
• PubChem CID: 161499687
• Molecular Formula: C123H126F9N25O6
• Molecular Weight: 2221.51 g/mol
• Exact Mass: 2220.02
• IUPAC Name: (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one
• SMILES: CC(C)c1cc(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)cc2c1n(C)c(=O)n2C.CN1CCN(c2ccc3c(c2)n(C)c(=O)n3C)c2cc(C(F)(F)F)c(-c3cnn(C)c3)cc21.C[C@H]1C(=O)N(C)c2cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)ccc21.Cn1cc(-c2cc3c(cc2C(F)F)N(c2cc(C4CCOCC4)c4c(c2)n(C)c(=O)n4C)CCC3)cn1.Cn1cc(-c2cc3cccc(-c4ccc5c(c4)n(C)c(=O)n5C)c3cn2)cn1
• InChI: InChI=1S/C28H31F2N5O2.C26H29F2N5O.C24H24F2N4O.C23H23F3N6O.C22H19N5O/c1-32-16-19(15-31-32)21-11-18-5-4-8-35(24(18)14-23(21)27(29)30)20-12-22(17-6-9-37-10-7-17)26-25(13-20)33(2)28(36)34(26)3;1-15(2)19-10-18(11-23-24(19)32(5)26(34)31(23)4)33-8-6-7-16-9-20(17-13-29-30(3)14-17)21(25(27)28)12-22(16)33;1-14-18-7-6-17(10-22(18)29(3)24(14)31)30-8-4-5-15-9-19(16-12-27-28(2)13-16)20(23(25)26)11-21(15)30;1-28-7-8-32(15-5-6-18-20(9-15)31(4)22(33)30(18)3)21-11-17(23(24,25)26)16(10-19(21)28)14-12-27-29(2)13-14;1-25-13-16(11-24-25)19-9-14-5-4-6-17(18(14)12-23-19)15-7-8-20-21(10-15)27(3)22(28)26(20)2/h11-17,27H,4-10H2,1-3H3;9-15,25H,6-8H2,1-5H3;6-7,9-14,23H,4-5,8H2,1-3H3;5-6,9-13H,7-8H2,1-4H3;4-13H,1-3H3/t;;14-;;/m..1../s1
• InChIKey: WGRDGKASGKVNEK-ZOCYYSMUSA-N
• XLogP: 23.18
• TPSA: 255.45 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2221.51
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one?

The IUPAC name of (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one (CID 161499687) is (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one.

What is the SMILES notation for (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one?

The canonical SMILES for (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one is CC(C)c1cc(N2CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc32)cc2c1n(C)c(=O)n2C.CN1CCN(c2ccc3c(c2)n(C)c(=O)n3C)c2cc(C(F)(F)F)c(-c3cnn(C)c3)cc21.C[C@H]1C(=O)N(C)c2cc(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)ccc21.Cn1cc(-c2cc3c(cc2C(F)F)N(c2cc(C4CCOCC4)c4c(c2)n(C)c(=O)n4C)CCC3)cn1.Cn1cc(-c2cc3cccc(-c4ccc5c(c4)n(C)c(=O)n5C)c3cn2)cn1.

What is the InChIKey of (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one?

The InChIKey is WGRDGKASGKVNEK-ZOCYYSMUSA-N. The full InChI is InChI=1S/C28H31F2N5O2.C26H29F2N5O.C24H24F2N4O.C23H23F3N6O.C22H19N5O/c1-32-16-19(15-31-32)21-11-18-5-4-8-35(24(18)14-23(21)27(29)30)20-12-22(17-6-9-37-10-7-17)26-25(13-20)33(2)28(36)34(26)3;1-15(2)19-10-18(11-23-24(19)32(5)26(34)31(23)4)33-8-6-7-16-9-20(17-13-29-30(3)14-17)21(25(27)28)12-22(16)33;1-14-18-7-6-17(10-22(18)29(3)24(14)31)30-8-4-5-15-9-19(16-12-27-28(2)13-16)20(23(25)26)11-21(15)30;1-28-7-8-32(15-5-6-18-20(9-15)31(4)22(33)30(18)3)21-11-17(23(24,25)26)16(10-19(21)28)14-12-27-29(2)13-14;1-25-13-16(11-24-25)19-9-14-5-4-6-17(18(14)12-23-19)15-7-8-20-21(10-15)27(3)22(28)26(20)2/h11-17,27H,4-10H2,1-3H3;9-15,25H,6-8H2,1-5H3;6-7,9-14,23H,4-5,8H2,1-3H3;5-6,9-13H,7-8H2,1-4H3;4-13H,1-3H3/t;;14-;;/m..1../s1.

What are the key properties of (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one?

(3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one has a molecular weight of 2221.51 g/mol, XLogP of 23.18, 15 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-3H-indol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-(oxan-4-yl)benzimidazol-2-one;6-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,3-dimethyl-4-propan-2-ylbenzimidazol-2-one;1,3-dimethyl-5-[4-methyl-6-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)-2,3-dihydroquinoxalin-1-yl]benzimidazol-2-one;1,3-dimethyl-5-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]benzimidazol-2-one is sourced from PubChem (CID 161499687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).