4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)

C175H248Cl4F14N30O30S7-2 — CID 157073017

IUPAC4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(NS(=O)[O-])CC2)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(NS(=O)[O-])CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C26H38F2N4O3.C26H38F2N4O2.C25H35ClF2N4O3.C25H35ClF2N4O2.C25H37F2N5O4S.C24H34ClF2N5O4S.C24H33ClF2N4O2.5O2S/c1-7-32-22(19-14-29-18(13-25(4,5)6)12-20(19)35-24(27)28)17(3)21(31-32)23(33)30-15-26(34)10-8-16(2)9-11-26;1-7-32-23(20-15-29-19(13-26(4,5)6)12-21(20)34-25(27)28)17(3)22(31-32)24(33)30-14-18-10-8-16(2)9-11-18;1-6-32-21(17-13-29-16(12-24(3,4)5)11-18(17)35-23(27)28)19(26)20(31-32)22(33)30-14-25(34)9-7-15(2)8-10-25;1-6-32-22(18-14-29-17(12-25(3,4)5)11-19(18)34-24(27)28)20(26)21(31-32)23(33)30-13-16-9-7-15(2)8-10-16;1-6-32-22(19-14-28-18(12-25(3,4)5)11-20(19)36-24(26)27)15(2)21(30-32)23(33)29-13-16-7-9-17(10-8-16)31-37(34)35;1-5-32-21(17-13-28-16(11-24(2,3)4)10-18(17)36-23(26)27)19(25)20(30-32)22(33)29-12-14-6-8-15(9-7-14)31-37(34)35;1-5-31-22(18-13-28-17(10-14(2)3)11-19(18)33-24(26)27)20(25)21(30-31)23(32)29-12-16-8-6-15(4)7-9-16;5*1-3-2/h12,14,16,24,34H,7-11,13,15H2,1-6H3,(H,30,33);12,15-16,18,25H,7-11,13-14H2,1-6H3,(H,30,33);11,13,15,23,34H,6-10,12,14H2,1-5H3,(H,30,33);11,14-16,24H,6-10,12-13H2,1-5H3,(H,30,33);11,14,16-17,24,31H,6-10,12-13H2,1-5H3,(H,29,33)(H,34,35);10,13-15,23,31H,5-9,11-12H2,1-4H3,(H,29,33)(H,34,35);11,13-16,24H,5-10,12H2,1-4H3,(H,29,32);;;;;/p-2
InChIKeyAGAPPNOMEFGVPY-UHFFFAOYSA-L
MW3884.34 g/mol
LogP34.24
Rot. Bonds61

About 4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)

4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) (PubChem CID 157073017) has the molecular formula C175H248Cl4F14N30O30S7-2 and a molecular weight of 3884.34 g/mol. Its IUPAC name is 4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide).

Molecular Properties

Compound Name4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)
PubChem CID157073017
Molecular FormulaC175H248Cl4F14N30O30S7-2
Molecular Weight3884.34 g/mol
Exact Mass3879.54
IUPAC Name4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(NS(=O)[O-])CC2)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(NS(=O)[O-])CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C26H38F2N4O3.C26H38F2N4O2.C25H35ClF2N4O3.C25H35ClF2N4O2.C25H37F2N5O4S.C24H34ClF2N5O4S.C24H33ClF2N4O2.5O2S/c1-7-32-22(19-14-29-18(13-25(4,5)6)12-20(19)35-24(27)28)17(3)21(31-32)23(33)30-15-26(34)10-8-16(2)9-11-26;1-7-32-23(20-15-29-19(13-26(4,5)6)12-21(20)34-25(27)28)17(3)22(31-32)24(33)30-14-18-10-8-16(2)9-11-18;1-6-32-21(17-13-29-16(12-24(3,4)5)11-18(17)35-23(27)28)19(26)20(31-32)22(33)30-14-25(34)9-7-15(2)8-10-25;1-6-32-22(18-14-29-17(12-25(3,4)5)11-19(18)34-24(27)28)20(26)21(31-32)23(33)30-13-16-9-7-15(2)8-10-16;1-6-32-22(19-14-28-18(12-25(3,4)5)11-20(19)36-24(26)27)15(2)21(30-32)23(33)29-13-16-7-9-17(10-8-16)31-37(34)35;1-5-32-21(17-13-28-16(11-24(2,3)4)10-18(17)36-23(26)27)19(25)20(30-32)22(33)29-12-14-6-8-15(9-7-14)31-37(34)35;1-5-31-22(18-13-28-17(10-14(2)3)11-19(18)33-24(26)27)20(25)21(30-31)23(32)29-12-16-8-6-15(4)7-9-16;5*1-3-2/h12,14,16,24,34H,7-11,13,15H2,1-6H3,(H,30,33);12,15-16,18,25H,7-11,13-14H2,1-6H3,(H,30,33);11,13,15,23,34H,6-10,12,14H2,1-5H3,(H,30,33);11,14-16,24H,6-10,12-13H2,1-5H3,(H,30,33);11,14,16-17,24,31H,6-10,12-13H2,1-5H3,(H,29,33)(H,34,35);10,13-15,23,31H,5-9,11-12H2,1-4H3,(H,29,33)(H,34,35);11,13-16,24H,5-10,12H2,1-4H3,(H,29,32);;;;;/p-2
InChIKeyAGAPPNOMEFGVPY-UHFFFAOYSA-L
XLogP34.24
TPSA798.76 Ų
H-Bond Donors11
H-Bond Acceptors51
Rotatable Bonds61
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003884.34
LogP ≤ 534.24
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(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-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
The IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) (CID 157073017) is 4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide).
What is the SMILES notation for 4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
The canonical SMILES for 4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(NS(=O)[O-])CC2)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(NS(=O)[O-])CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1OC(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-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
The InChIKey is AGAPPNOMEFGVPY-UHFFFAOYSA-L. The full InChI is InChI=1S/C26H38F2N4O3.C26H38F2N4O2.C25H35ClF2N4O3.C25H35ClF2N4O2.C25H37F2N5O4S.C24H34ClF2N5O4S.C24H33ClF2N4O2.5O2S/c1-7-32-22(19-14-29-18(13-25(4,5)6)12-20(19)35-24(27)28)17(3)21(31-32)23(33)30-15-26(34)10-8-16(2)9-11-26;1-7-32-23(20-15-29-19(13-26(4,5)6)12-21(20)34-25(27)28)17(3)22(31-32)24(33)30-14-18-10-8-16(2)9-11-18;1-6-32-21(17-13-29-16(12-24(3,4)5)11-18(17)35-23(27)28)19(26)20(31-32)22(33)30-14-25(34)9-7-15(2)8-10-25;1-6-32-22(18-14-29-17(12-25(3,4)5)11-19(18)34-24(27)28)20(26)21(31-32)23(33)30-13-16-9-7-15(2)8-10-16;1-6-32-22(19-14-28-18(12-25(3,4)5)11-20(19)36-24(26)27)15(2)21(30-32)23(33)29-13-16-7-9-17(10-8-16)31-37(34)35;1-5-32-21(17-13-28-16(11-24(2,3)4)10-18(17)36-23(26)27)19(25)20(30-32)22(33)29-12-14-6-8-15(9-7-14)31-37(34)35;1-5-31-22(18-13-28-17(10-14(2)3)11-19(18)33-24(26)27)20(25)21(30-31)23(32)29-12-16-8-6-15(4)7-9-16;5*1-3-2/h12,14,16,24,34H,7-11,13,15H2,1-6H3,(H,30,33);12,15-16,18,25H,7-11,13-14H2,1-6H3,(H,30,33);11,13,15,23,34H,6-10,12,14H2,1-5H3,(H,30,33);11,14-16,24H,6-10,12-13H2,1-5H3,(H,30,33);11,14,16-17,24,31H,6-10,12-13H2,1-5H3,(H,29,33)(H,34,35);10,13-15,23,31H,5-9,11-12H2,1-4H3,(H,29,33)(H,34,35);11,13-16,24H,5-10,12H2,1-4H3,(H,29,32);;;;;/p-2.
What are the key properties of 4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) has a molecular weight of 3884.34 g/mol, XLogP of 34.24, 61 rotatable bonds, 11 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-chloro-2-ethyl-5-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-3-yl]-4-(difluoromethoxy)-2-(2,2-dimethylpropyl)pyridine;4-(difluoromethoxy)-2-(2,2-dimethylpropyl)-5-[1-ethyl-4-methyl-3-[[4-(sulfinatoamino)cyclohexyl]methylcarbamoyl]pyrazol-5-yl]pyridine;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) is sourced from PubChem (CID 157073017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).