4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)

C178H254Cl4F14N28O37S7 — CID 158826037

IUPAC4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/2C26H38F2N4O4.C26H38F2N4O2.2C25H35ClF2N4O4.C25H35ClF2N4O3.C25H35ClF2N4O2.7O2S/c2*1-7-32-22(18-13-29-17(12-25(4,5)6)11-19(18)36-24(27)28)16(3)21(31-32)23(34)30-14-26(35)9-8-15(2)10-20(26)33;1-7-32-22(20-13-12-19(14-26(4,5)6)30-24(20)34-25(27)28)17(3)21(31-32)23(33)29-15-18-10-8-16(2)9-11-18;2*1-6-32-20(16-8-7-15(12-24(3,4)5)30-22(16)36-23(27)28)18(26)19(31-32)21(34)29-13-25(35)10-9-14(2)11-17(25)33;1-6-32-20(17-8-7-16(13-24(3,4)5)30-22(17)35-23(27)28)18(26)19(31-32)21(33)29-14-25(34)11-9-15(2)10-12-25;1-6-32-21(18-12-11-17(13-25(3,4)5)30-23(18)34-24(27)28)19(26)20(31-32)22(33)29-14-16-9-7-15(2)8-10-16;7*1-3-2/h2*11,13,15,20,24,33,35H,7-10,12,14H2,1-6H3,(H,30,34);12-13,16,18,25H,7-11,14-15H2,1-6H3,(H,29,33);2*7-8,14,17,23,33,35H,6,9-13H2,1-5H3,(H,29,34);7-8,15,23,34H,6,9-14H2,1-5H3,(H,29,33);11-12,15-16,24H,6-10,13-14H2,1-5H3,(H,29,33);;;;;;;/t2*15-,20-,26-;;2*14-,17-,25-;;;;;;;;;/m10.10........./s1
InChIKeyIWLUJPQROBCSIX-FFLXSLFMSA-N
MW4010.40 g/mol
LogP30.28
Rot. Bonds56

About 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)

4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) (PubChem CID 158826037) has the molecular formula C178H254Cl4F14N28O37S7 and a molecular weight of 4010.40 g/mol. Its IUPAC name is 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide).

Molecular Properties

Compound Name4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)
PubChem CID158826037
Molecular FormulaC178H254Cl4F14N28O37S7
Molecular Weight4010.40 g/mol
Exact Mass4005.54
IUPAC Name4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/2C26H38F2N4O4.C26H38F2N4O2.2C25H35ClF2N4O4.C25H35ClF2N4O3.C25H35ClF2N4O2.7O2S/c2*1-7-32-22(18-13-29-17(12-25(4,5)6)11-19(18)36-24(27)28)16(3)21(31-32)23(34)30-14-26(35)9-8-15(2)10-20(26)33;1-7-32-22(20-13-12-19(14-26(4,5)6)30-24(20)34-25(27)28)17(3)21(31-32)23(33)29-15-18-10-8-16(2)9-11-18;2*1-6-32-20(16-8-7-15(12-24(3,4)5)30-22(16)36-23(27)28)18(26)19(31-32)21(34)29-13-25(35)10-9-14(2)11-17(25)33;1-6-32-20(17-8-7-16(13-24(3,4)5)30-22(17)35-23(27)28)18(26)19(31-32)21(33)29-14-25(34)11-9-15(2)10-12-25;1-6-32-21(18-12-11-17(13-25(3,4)5)30-23(18)34-24(27)28)19(26)20(31-32)22(33)29-14-16-9-7-15(2)8-10-16;7*1-3-2/h2*11,13,15,20,24,33,35H,7-10,12,14H2,1-6H3,(H,30,34);12-13,16,18,25H,7-11,14-15H2,1-6H3,(H,29,33);2*7-8,14,17,23,33,35H,6,9-13H2,1-5H3,(H,29,34);7-8,15,23,34H,6,9-14H2,1-5H3,(H,29,33);11-12,15-16,24H,6-10,13-14H2,1-5H3,(H,29,33);;;;;;;/t2*15-,20-,26-;;2*14-,17-,25-;;;;;;;;;/m10.10........./s1
InChIKeyIWLUJPQROBCSIX-FFLXSLFMSA-N
XLogP30.28
TPSA904.33 Ų
H-Bond Donors16
H-Bond Acceptors58
Rotatable Bonds56
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004010.40
LogP ≤ 530.28
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1058

Analyze 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)?
The IUPAC name of 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) (CID 158826037) is 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide).
What is the SMILES notation for 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)?
The canonical SMILES for 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(C)c1-c1cnc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.
What is the InChIKey of 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)?
The InChIKey is IWLUJPQROBCSIX-FFLXSLFMSA-N. The full InChI is InChI=1S/2C26H38F2N4O4.C26H38F2N4O2.2C25H35ClF2N4O4.C25H35ClF2N4O3.C25H35ClF2N4O2.7O2S/c2*1-7-32-22(18-13-29-17(12-25(4,5)6)11-19(18)36-24(27)28)16(3)21(31-32)23(34)30-14-26(35)9-8-15(2)10-20(26)33;1-7-32-22(20-13-12-19(14-26(4,5)6)30-24(20)34-25(27)28)17(3)21(31-32)23(33)29-15-18-10-8-16(2)9-11-18;2*1-6-32-20(16-8-7-15(12-24(3,4)5)30-22(16)36-23(27)28)18(26)19(31-32)21(34)29-13-25(35)10-9-14(2)11-17(25)33;1-6-32-20(17-8-7-16(13-24(3,4)5)30-22(17)35-23(27)28)18(26)19(31-32)21(33)29-14-25(34)11-9-15(2)10-12-25;1-6-32-21(18-12-11-17(13-25(3,4)5)30-23(18)34-24(27)28)19(26)20(31-32)22(33)29-14-16-9-7-15(2)8-10-16;7*1-3-2/h2*11,13,15,20,24,33,35H,7-10,12,14H2,1-6H3,(H,30,34);12-13,16,18,25H,7-11,14-15H2,1-6H3,(H,29,33);2*7-8,14,17,23,33,35H,6,9-13H2,1-5H3,(H,29,34);7-8,15,23,34H,6,9-14H2,1-5H3,(H,29,33);11-12,15-16,24H,6-10,13-14H2,1-5H3,(H,29,33);;;;;;;/t2*15-,20-,26-;;2*14-,17-,25-;;;;;;;;;/m10.10........./s1.
What are the key properties of 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide)?
4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) has a molecular weight of 4010.40 g/mol, XLogP of 30.28, 56 rotatable bonds, 16 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1R,2R,4R)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-N-[[(1S,2S,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethyl-4-methylpyrazole-3-carboxamide;5-[2-(difluoromethoxy)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;heptakis(sulfur dioxide) is sourced from PubChem (CID 158826037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).