(2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone

C116H99Cl3F9N23O7 — CID 167613986

About (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone

(2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone (PubChem CID 167613986) has the molecular formula C116H99Cl3F9N23O7 and a molecular weight of 2207.58 g/mol. Its IUPAC name is (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

• Compound Name: (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
• PubChem CID: 167613986
• Molecular Formula: C116H99Cl3F9N23O7
• Molecular Weight: 2207.58 g/mol
• Exact Mass: 2204.72
• IUPAC Name: (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
• SMILES: COc1cc(F)cc(-c2c3c(nn2C)[C@H](C)N(C(=O)c2ccc4nccnc4c2)CC3)c1.COc1cccc(C(=O)N2CCc3c(nn(C)c3-c3cc(F)c(F)c(F)c3)[C@@H]2C)c1Cl.C[C@H]1c2nn(C)c(-c3cc(Cl)cc(Cl)c3)c2CCN1C(=O)c1ccc2nccnc2c1.C[C@H]1c2nn(C)c(-c3cc(F)c(F)c(F)c3)c2CCN1C(=O)c1cccc(-n2cncn2)c1.[2H]C([2H])([2H])n1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1ccc3ncccc3c1)C2C
• InChI: InChI=1S/C24H20F2N4O.C24H22FN5O2.C23H19Cl2N5O.C23H19F3N6O.C22H19ClF3N3O2/c1-14-22-20(23(29(2)28-22)17-11-18(25)13-19(26)12-17)7-9-30(14)24(31)16-5-6-21-15(10-16)4-3-8-27-21;1-14-22-19(23(29(2)28-22)16-10-17(25)13-18(11-16)32-3)6-9-30(14)24(31)15-4-5-20-21(12-15)27-8-7-26-20;1-13-21-18(22(29(2)28-21)15-9-16(24)12-17(25)10-15)5-8-30(13)23(31)14-3-4-19-20(11-14)27-7-6-26-19;1-13-21-17(22(30(2)29-21)15-9-18(24)20(26)19(25)10-15)6-7-31(13)23(33)14-4-3-5-16(8-14)32-12-27-11-28-32;1-11-20-14(21(28(2)27-20)12-9-15(24)19(26)16(25)10-12)7-8-29(11)22(30)13-5-4-6-17(31-3)18(13)23/h3-6,8,10-14H,7,9H2,1-2H3;4-5,7-8,10-14H,6,9H2,1-3H3;3-4,6-7,9-13H,5,8H2,1-2H3;3-5,8-13H,6-7H2,1-2H3;4-6,9-11H,7-8H2,1-3H3/t;14-;2*13-;11-/m.0000/s1/i2D3
• InChIKey: LLVJVIWUXNYLMZ-DWJNFOIASA-N
• XLogP: 22.48
• TPSA: 304.27 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2207.58
LogP ≤ 5	22.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?

The IUPAC name of (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone (CID 167613986) is (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone.

What is the SMILES notation for (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?

The canonical SMILES for (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone is COc1cc(F)cc(-c2c3c(nn2C)[C@H](C)N(C(=O)c2ccc4nccnc4c2)CC3)c1.COc1cccc(C(=O)N2CCc3c(nn(C)c3-c3cc(F)c(F)c(F)c3)[C@@H]2C)c1Cl.C[C@H]1c2nn(C)c(-c3cc(Cl)cc(Cl)c3)c2CCN1C(=O)c1ccc2nccnc2c1.C[C@H]1c2nn(C)c(-c3cc(F)c(F)c(F)c3)c2CCN1C(=O)c1cccc(-n2cncn2)c1.[2H]C([2H])([2H])n1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1ccc3ncccc3c1)C2C.

What is the InChIKey of (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?

The InChIKey is LLVJVIWUXNYLMZ-DWJNFOIASA-N. The full InChI is InChI=1S/C24H20F2N4O.C24H22FN5O2.C23H19Cl2N5O.C23H19F3N6O.C22H19ClF3N3O2/c1-14-22-20(23(29(2)28-22)17-11-18(25)13-19(26)12-17)7-9-30(14)24(31)16-5-6-21-15(10-16)4-3-8-27-21;1-14-22-19(23(29(2)28-22)16-10-17(25)13-18(11-16)32-3)6-9-30(14)24(31)15-4-5-20-21(12-15)27-8-7-26-20;1-13-21-18(22(29(2)28-21)15-9-16(24)12-17(25)10-15)5-8-30(13)23(31)14-3-4-19-20(11-14)27-7-6-26-19;1-13-21-17(22(30(2)29-21)15-9-18(24)20(26)19(25)10-15)6-7-31(13)23(33)14-4-3-5-16(8-14)32-12-27-11-28-32;1-11-20-14(21(28(2)27-20)12-9-15(24)19(26)16(25)10-12)7-8-29(11)22(30)13-5-4-6-17(31-3)18(13)23/h3-6,8,10-14H,7,9H2,1-2H3;4-5,7-8,10-14H,6,9H2,1-3H3;3-4,6-7,9-13H,5,8H2,1-2H3;3-5,8-13H,6-7H2,1-2H3;4-6,9-11H,7-8H2,1-3H3/t;14-;2*13-;11-/m.0000/s1/i2D3;;;;.

What are the key properties of (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?

(2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone has a molecular weight of 2207.58 g/mol, XLogP of 22.48, 14 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-3-methoxyphenyl)-[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone;[(7S)-3-(3,5-dichlorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone;[3-(3,5-difluorophenyl)-7-methyl-2-(trideuteriomethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone;[(7S)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone;[(7S)-3-(3-fluoro-5-methoxyphenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 167613986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).