1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C143H163Cl2F10N27O10 — CID 159583337

IUPAC1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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(-c5ccc(N(C)C)nc5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccn(C)n5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccncc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cncc(Cl)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CCc1ccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1
InChIInChI=1S/C30H36F2N6O2.C30H35F2N5O2.2C28H30ClF2N5O2.C27H32F2N6O2/c1-19(39)36-12-8-26-25(18-36)30(34-38(26)22-9-13-40-14-10-22)37-11-4-5-20-15-23(24(29(31)32)16-27(20)37)21-6-7-28(33-17-21)35(2)3;1-3-22-7-6-21(17-33-22)24-15-20-5-4-11-36(28(20)16-25(24)29(31)32)30-26-18-35(19(2)38)12-8-27(26)37(34-30)23-9-13-39-14-10-23;1-17(37)34-10-5-25-23(16-34)28(33-36(25)19-6-11-38-12-7-19)35-9-2-3-18-13-21(20-4-8-32-15-24(20)29)22(27(30)31)14-26(18)35;1-17(37)34-8-4-25-24(16-34)28(33-36(25)21-5-9-38-10-6-21)35-7-2-3-18-12-22(19-11-20(29)15-32-14-19)23(27(30)31)13-26(18)35;1-17(36)33-11-6-24-22(16-33)27(31-35(24)19-7-12-37-13-8-19)34-9-3-4-18-14-20(23-5-10-32(2)30-23)21(26(28)29)15-25(18)34/h6-7,15-17,22,29H,4-5,8-14,18H2,1-3H3;6-7,15-17,23,29H,3-5,8-14,18H2,1-2H3;4,8,13-15,19,27H,2-3,5-7,9-12,16H2,1H3;11-15,21,27H,2-10,16H2,1H3;5,10,14-15,19,26H,3-4,6-9,11-13,16H2,1-2H3
InChIKeyMJHJAUHYVGWYHR-UHFFFAOYSA-N
MW2680.94 g/mol
LogP27.39
Rot. Bonds22

About 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-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-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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 159583337) has the molecular formula C143H163Cl2F10N27O10 and a molecular weight of 2680.94 g/mol. Its IUPAC name is 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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 Name1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID159583337
Molecular FormulaC143H163Cl2F10N27O10
Molecular Weight2680.94 g/mol
Exact Mass2678.23
IUPAC Name1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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(-c5ccc(N(C)C)nc5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccn(C)n5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccncc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cncc(Cl)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CCc1ccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1
InChIInChI=1S/C30H36F2N6O2.C30H35F2N5O2.2C28H30ClF2N5O2.C27H32F2N6O2/c1-19(39)36-12-8-26-25(18-36)30(34-38(26)22-9-13-40-14-10-22)37-11-4-5-20-15-23(24(29(31)32)16-27(20)37)21-6-7-28(33-17-21)35(2)3;1-3-22-7-6-21(17-33-22)24-15-20-5-4-11-36(28(20)16-25(24)29(31)32)30-26-18-35(19(2)38)12-8-27(26)37(34-30)23-9-13-39-14-10-23;1-17(37)34-10-5-25-23(16-34)28(33-36(25)19-6-11-38-12-7-19)35-9-2-3-18-13-21(20-4-8-32-15-24(20)29)22(27(30)31)14-26(18)35;1-17(37)34-8-4-25-24(16-34)28(33-36(25)21-5-9-38-10-6-21)35-7-2-3-18-12-22(19-11-20(29)15-32-14-19)23(27(30)31)13-26(18)35;1-17(36)33-11-6-24-22(16-33)27(31-35(24)19-7-12-37-13-8-19)34-9-3-4-18-14-20(23-5-10-32(2)30-23)21(26(28)29)15-25(18)34/h6-7,15-17,22,29H,4-5,8-14,18H2,1-3H3;6-7,15-17,23,29H,3-5,8-14,18H2,1-2H3;4,8,13-15,19,27H,2-3,5-7,9-12,16H2,1H3;11-15,21,27H,2-10,16H2,1H3;5,10,14-15,19,26H,3-4,6-9,11-13,16H2,1-2H3
InChIKeyMJHJAUHYVGWYHR-UHFFFAOYSA-N
XLogP27.39
TPSA325.62 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds22
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002680.94
LogP ≤ 527.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159583337) is 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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(-c5ccc(N(C)C)nc5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccn(C)n5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccncc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cncc(Cl)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CCc1ccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1.
What is the InChIKey of 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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 MJHJAUHYVGWYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F2N6O2.C30H35F2N5O2.2C28H30ClF2N5O2.C27H32F2N6O2/c1-19(39)36-12-8-26-25(18-36)30(34-38(26)22-9-13-40-14-10-22)37-11-4-5-20-15-23(24(29(31)32)16-27(20)37)21-6-7-28(33-17-21)35(2)3;1-3-22-7-6-21(17-33-22)24-15-20-5-4-11-36(28(20)16-25(24)29(31)32)30-26-18-35(19(2)38)12-8-27(26)37(34-30)23-9-13-39-14-10-23;1-17(37)34-10-5-25-23(16-34)28(33-36(25)19-6-11-38-12-7-19)35-9-2-3-18-13-21(20-4-8-32-15-24(20)29)22(27(30)31)14-26(18)35;1-17(37)34-8-4-25-24(16-34)28(33-36(25)21-5-9-38-10-6-21)35-7-2-3-18-12-22(19-11-20(29)15-32-14-19)23(27(30)31)13-26(18)35;1-17(36)33-11-6-24-22(16-33)27(31-35(24)19-7-12-37-13-8-19)34-9-3-4-18-14-20(23-5-10-32(2)30-23)21(26(28)29)15-25(18)34/h6-7,15-17,22,29H,4-5,8-14,18H2,1-3H3;6-7,15-17,23,29H,3-5,8-14,18H2,1-2H3;4,8,13-15,19,27H,2-3,5-7,9-12,16H2,1H3;11-15,21,27H,2-10,16H2,1H3;5,10,14-15,19,26H,3-4,6-9,11-13,16H2,1-2H3.
What are the key properties of 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-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-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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 2680.94 g/mol, XLogP of 27.39, 22 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-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-(5-chloro-3-pyridinyl)-7-(difluoromethyl)-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-[7-(difluoromethyl)-6-[6-(dimethylamino)-3-pyridinyl]-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-[7-(difluoromethyl)-6-(6-ethyl-3-pyridinyl)-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-[7-(difluoromethyl)-6-(1-methylpyrazol-3-yl)-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 159583337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).