3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C139H169F9N32O12 — CID 161251440

IUPAC3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(OC(F)(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCC(C)c4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccnc(OC)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3C[C@H](C)Cc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
InChIInChI=1S/C29H34F2N6O3.2C28H35F2N7O2.C27H31F3N6O3.C27H34N6O2/c1-32-29(38)35-11-6-24-23(17-35)28(34-37(24)20-7-12-40-13-8-20)36-10-3-4-19-14-21(22(27(30)31)16-25(19)36)18-5-9-33-26(15-18)39-2;1-17-4-9-36(25-13-22(26(29)30)21(12-20(17)25)18-14-32-34(3)15-18)27-23-16-35(28(38)31-2)8-5-24(23)37(33-27)19-6-10-39-11-7-19;1-17-10-18-11-21(19-13-32-34(3)15-19)22(26(29)30)12-25(18)36(14-17)27-23-16-35(28(38)31-2)7-4-24(23)37(33-27)20-5-8-39-9-6-20;1-17(37)34-9-5-23-22(16-34)26(32-36(23)20-6-10-38-11-7-20)35-8-3-4-18-12-21(19-14-31-33(2)15-19)25(13-24(18)35)39-27(28,29)30;1-18-13-26-20(14-23(18)21-15-28-30(3)16-21)5-4-9-32(26)27-24-17-31(19(2)34)10-6-25(24)33(29-27)22-7-11-35-12-8-22/h5,9,14-16,20,27H,3-4,6-8,10-13,17H2,1-2H3,(H,32,38);12-15,17,19,26H,4-11,16H2,1-3H3,(H,31,38);11-13,15,17,20,26H,4-10,14,16H2,1-3H3,(H,31,38);12-15,20H,3-11,16H2,1-2H3;13-16,22H,4-12,17H2,1-3H3/t;;17-;;/m..1../s1
InChIKeyVBICKRPCFIPIQZ-GYNAYGTNSA-N
MW2651.07 g/mol
LogP23.00
Rot. Bonds20

About 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 161251440) has the molecular formula C139H169F9N32O12 and a molecular weight of 2651.07 g/mol. Its IUPAC name is 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID161251440
Molecular FormulaC139H169F9N32O12
Molecular Weight2651.07 g/mol
Exact Mass2649.35
IUPAC Name3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(OC(F)(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCC(C)c4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccnc(OC)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3C[C@H](C)Cc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
InChIInChI=1S/C29H34F2N6O3.2C28H35F2N7O2.C27H31F3N6O3.C27H34N6O2/c1-32-29(38)35-11-6-24-23(17-35)28(34-37(24)20-7-12-40-13-8-20)36-10-3-4-19-14-21(22(27(30)31)16-25(19)36)18-5-9-33-26(15-18)39-2;1-17-4-9-36(25-13-22(26(29)30)21(12-20(17)25)18-14-32-34(3)15-18)27-23-16-35(28(38)31-2)8-5-24(23)37(33-27)19-6-10-39-11-7-19;1-17-10-18-11-21(19-13-32-34(3)15-19)22(26(29)30)12-25(18)36(14-17)27-23-16-35(28(38)31-2)7-4-24(23)37(33-27)20-5-8-39-9-6-20;1-17(37)34-9-5-23-22(16-34)26(32-36(23)20-6-10-38-11-7-20)35-8-3-4-18-12-21(19-14-31-33(2)15-19)25(13-24(18)35)39-27(28,29)30;1-18-13-26-20(14-23(18)21-15-28-30(3)16-21)5-4-9-32(26)27-24-17-31(19(2)34)10-6-25(24)33(29-27)22-7-11-35-12-8-22/h5,9,14-16,20,27H,3-4,6-8,10-13,17H2,1-2H3,(H,32,38);12-15,17,19,26H,4-11,16H2,1-3H3,(H,31,38);11-13,15,17,20,26H,4-10,14,16H2,1-3H3,(H,31,38);12-15,20H,3-11,16H2,1-2H3;13-16,22H,4-12,17H2,1-3H3/t;;17-;;/m..1../s1
InChIKeyVBICKRPCFIPIQZ-GYNAYGTNSA-N
XLogP23.00
TPSA391.72 Ų
H-Bond Donors3
H-Bond Acceptors36
Rotatable Bonds20
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002651.07
LogP ≤ 523.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 161251440) is 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(OC(F)(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCC(C)c4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccnc(OC)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3C[C@H](C)Cc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.
What is the InChIKey of 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is VBICKRPCFIPIQZ-GYNAYGTNSA-N. The full InChI is InChI=1S/C29H34F2N6O3.2C28H35F2N7O2.C27H31F3N6O3.C27H34N6O2/c1-32-29(38)35-11-6-24-23(17-35)28(34-37(24)20-7-12-40-13-8-20)36-10-3-4-19-14-21(22(27(30)31)16-25(19)36)18-5-9-33-26(15-18)39-2;1-17-4-9-36(25-13-22(26(29)30)21(12-20(17)25)18-14-32-34(3)15-18)27-23-16-35(28(38)31-2)8-5-24(23)37(33-27)19-6-10-39-11-7-19;1-17-10-18-11-21(19-13-32-34(3)15-19)22(26(29)30)12-25(18)36(14-17)27-23-16-35(28(38)31-2)7-4-24(23)37(33-27)20-5-8-39-9-6-20;1-17(37)34-9-5-23-22(16-34)26(32-36(23)20-6-10-38-11-7-20)35-8-3-4-18-12-21(19-14-31-33(2)15-19)25(13-24(18)35)39-27(28,29)30;1-18-13-26-20(14-23(18)21-15-28-30(3)16-21)5-4-9-32(26)27-24-17-31(19(2)34)10-6-25(24)33(29-27)22-7-11-35-12-8-22/h5,9,14-16,20,27H,3-4,6-8,10-13,17H2,1-2H3,(H,32,38);12-15,17,19,26H,4-11,16H2,1-3H3,(H,31,38);11-13,15,17,20,26H,4-10,14,16H2,1-3H3,(H,31,38);12-15,20H,3-11,16H2,1-2H3;13-16,22H,4-12,17H2,1-3H3/t;;17-;;/m..1../s1.
What are the key properties of 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2651.07 g/mol, XLogP of 23.00, 20 rotatable bonds, 3 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(difluoromethyl)-6-(2-methoxy-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[(3R)-7-(difluoromethyl)-3-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-[7-(difluoromethyl)-4-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-(1-methylpyrazol-4-yl)-7-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 161251440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).