4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)

C129H180Cl5F16N23O22S5 — CID 161056799

IUPAC4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)CC)cc1C(C)(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NCC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H](C(C)C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@H](C(C)C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)CC)cc1C(C)(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C27H39ClF2N4O2.C27H39ClF2N4O.2C25H33ClF5N5O3.C25H36ClF2N5O3.5O2S/c1-7-25(4,5)14-18-13-20(26(6,29)30)19(15-31-18)23-21(28)22(33-34(23)8-2)24(35)32-16-27(36)11-9-17(3)10-12-27;1-7-26(4,5)14-19-13-21(27(6,29)30)20(16-31-19)24-22(28)23(33-34(24)8-2)25(35)32-15-18-11-9-17(3)10-12-18;2*1-5-36-20(18(26)19(35-36)22(37)33-12-24(38)8-6-14(4)7-9-24)15-11-32-17(10-16(15)39-23(27)28)34-21(13(2)3)25(29,30)31;1-6-33-21(16-12-29-18(30-13-24(3,4)5)11-17(16)36-23(27)28)19(26)20(32-33)22(34)31-14-25(35)9-7-15(2)8-10-25;5*1-3-2/h13,15,17,36H,7-12,14,16H2,1-6H3,(H,32,35);13,16-18H,7-12,14-15H2,1-6H3,(H,32,35);2*10-11,13-14,21,23,38H,5-9,12H2,1-4H3,(H,32,34)(H,33,37);11-12,15,23,35H,6-10,13-14H2,1-5H3,(H,29,30)(H,31,34);;;;;/t;;2*14?,21-,24?;;;;;;/m..10....../s1
InChIKeyUCWAWMARDZBUIY-GHSHJZIPSA-N
MW3046.57 g/mol
LogP27.42
Rot. Bonds47

About 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)

4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) (PubChem CID 161056799) has the molecular formula C129H180Cl5F16N23O22S5 and a molecular weight of 3046.57 g/mol. Its IUPAC name is 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide).

Molecular Properties

Compound Name4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)
PubChem CID161056799
Molecular FormulaC129H180Cl5F16N23O22S5
Molecular Weight3046.57 g/mol
Exact Mass3042.05
IUPAC Name4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)CC)cc1C(C)(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NCC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H](C(C)C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@H](C(C)C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)CC)cc1C(C)(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C27H39ClF2N4O2.C27H39ClF2N4O.2C25H33ClF5N5O3.C25H36ClF2N5O3.5O2S/c1-7-25(4,5)14-18-13-20(26(6,29)30)19(15-31-18)23-21(28)22(33-34(23)8-2)24(35)32-16-27(36)11-9-17(3)10-12-27;1-7-26(4,5)14-19-13-21(27(6,29)30)20(16-31-19)24-22(28)23(33-34(24)8-2)25(35)32-15-18-11-9-17(3)10-12-18;2*1-5-36-20(18(26)19(35-36)22(37)33-12-24(38)8-6-14(4)7-9-24)15-11-32-17(10-16(15)39-23(27)28)34-21(13(2)3)25(29,30)31;1-6-33-21(16-12-29-18(30-13-24(3,4)5)11-17(16)36-23(27)28)19(26)20(32-33)22(34)31-14-25(35)9-7-15(2)8-10-25;5*1-3-2/h13,15,17,36H,7-12,14,16H2,1-6H3,(H,32,35);13,16-18H,7-12,14-15H2,1-6H3,(H,32,35);2*10-11,13-14,21,23,38H,5-9,12H2,1-4H3,(H,32,34)(H,33,37);11-12,15,23,35H,6-10,13-14H2,1-5H3,(H,29,30)(H,31,34);;;;;/t;;2*14?,21-,24?;;;;;;/m..10....../s1
InChIKeyUCWAWMARDZBUIY-GHSHJZIPSA-N
XLogP27.42
TPSA614.45 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds47
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003046.57
LogP ≤ 527.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
The IUPAC name of 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) (CID 161056799) is 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide).
What is the SMILES notation for 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
The canonical SMILES for 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)CC)cc1C(C)(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NCC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H](C(C)C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@H](C(C)C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)CC)cc1C(C)(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.
What is the InChIKey of 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
The InChIKey is UCWAWMARDZBUIY-GHSHJZIPSA-N. The full InChI is InChI=1S/C27H39ClF2N4O2.C27H39ClF2N4O.2C25H33ClF5N5O3.C25H36ClF2N5O3.5O2S/c1-7-25(4,5)14-18-13-20(26(6,29)30)19(15-31-18)23-21(28)22(33-34(23)8-2)24(35)32-16-27(36)11-9-17(3)10-12-27;1-7-26(4,5)14-19-13-21(27(6,29)30)20(16-31-19)24-22(28)23(33-34(24)8-2)25(35)32-15-18-11-9-17(3)10-12-18;2*1-5-36-20(18(26)19(35-36)22(37)33-12-24(38)8-6-14(4)7-9-24)15-11-32-17(10-16(15)39-23(27)28)34-21(13(2)3)25(29,30)31;1-6-33-21(16-12-29-18(30-13-24(3,4)5)11-17(16)36-23(27)28)19(26)20(32-33)22(34)31-14-25(35)9-7-15(2)8-10-25;5*1-3-2/h13,15,17,36H,7-12,14,16H2,1-6H3,(H,32,35);13,16-18H,7-12,14-15H2,1-6H3,(H,32,35);2*10-11,13-14,21,23,38H,5-9,12H2,1-4H3,(H,32,34)(H,33,37);11-12,15,23,35H,6-10,13-14H2,1-5H3,(H,29,30)(H,31,34);;;;;/t;;2*14?,21-,24?;;;;;;/m..10....../s1.
What are the key properties of 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) has a molecular weight of 3046.57 g/mol, XLogP of 27.42, 47 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylbutyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) is sourced from PubChem (CID 161056799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).