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

C179H259Cl5F10N28O31S7 — CID 158117996

IUPAC4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide)
SMILESCCc1cc(CC(C)(C)C)ncc1-c1c(Cl)c(C(=O)NCC2(O)CCC(C)CC2)nn1CC.CCc1cc(CC(C)C)ncc1-c1c(Cl)c(C(=O)NCC2(O)CCC(C)CC2)nn1CC.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ncc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1C(C)(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ncc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)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/C26H37ClF2N4O.C26H39ClN4O2.C26H38F2N4O4.C26H38F2N4O3.C25H35ClF2N4O3.C25H35ClF2N4O2.C25H37ClN4O2.7O2S/c1-7-33-23(19-15-30-18(13-25(3,4)5)12-20(19)26(6,28)29)21(27)22(32-33)24(34)31-14-17-10-8-16(2)9-11-17;1-7-18-13-19(14-25(4,5)6)28-15-20(18)23-21(27)22(30-31(23)8-2)24(32)29-16-26(33)11-9-17(3)10-12-26;1-7-32-21(18-9-8-17(13-25(4,5)6)30-23(18)36-24(27)28)16(3)20(31-32)22(34)29-14-26(35)11-10-15(2)12-19(26)33;1-7-32-21(19-9-8-18(14-25(4,5)6)30-23(19)35-24(27)28)17(3)20(31-32)22(33)29-15-26(34)12-10-16(2)11-13-26;1-6-32-21(19-17(35-23(27)28)11-16(13-29-19)12-24(3,4)5)18(26)20(31-32)22(33)30-14-25(34)9-7-15(2)8-10-25;1-6-32-22(20-18(34-24(27)28)11-17(14-29-20)12-25(3,4)5)19(26)21(31-32)23(33)30-13-16-9-7-15(2)8-10-16;1-6-18-13-19(12-16(3)4)27-14-20(18)23-21(26)22(29-30(23)7-2)24(31)28-15-25(32)10-8-17(5)9-11-25;7*1-3-2/h12,15-17H,7-11,13-14H2,1-6H3,(H,31,34);13,15,17,33H,7-12,14,16H2,1-6H3,(H,29,32);8-9,15,19,24,33,35H,7,10-14H2,1-6H3,(H,29,34);8-9,16,24,34H,7,10-15H2,1-6H3,(H,29,33);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);13-14,16-17,32H,6-12,15H2,1-5H3,(H,28,31);;;;;;;/t;;15-,19-,26-;;;;;;;;;;;/m..0.........../s1
InChIKeyFRGIPOGMKRBIQU-WHRZWGPBSA-N
MW3890.92 g/mol
LogP33.76
Rot. Bonds54

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

4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide) (PubChem CID 158117996) has the molecular formula C179H259Cl5F10N28O31S7 and a molecular weight of 3890.92 g/mol. Its IUPAC name is 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide).

Molecular Properties

Compound Name4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide)
PubChem CID158117996
Molecular FormulaC179H259Cl5F10N28O31S7
Molecular Weight3890.92 g/mol
Exact Mass3885.59
IUPAC Name4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide)
SMILESCCc1cc(CC(C)(C)C)ncc1-c1c(Cl)c(C(=O)NCC2(O)CCC(C)CC2)nn1CC.CCc1cc(CC(C)C)ncc1-c1c(Cl)c(C(=O)NCC2(O)CCC(C)CC2)nn1CC.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ncc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1C(C)(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ncc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)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/C26H37ClF2N4O.C26H39ClN4O2.C26H38F2N4O4.C26H38F2N4O3.C25H35ClF2N4O3.C25H35ClF2N4O2.C25H37ClN4O2.7O2S/c1-7-33-23(19-15-30-18(13-25(3,4)5)12-20(19)26(6,28)29)21(27)22(32-33)24(34)31-14-17-10-8-16(2)9-11-17;1-7-18-13-19(14-25(4,5)6)28-15-20(18)23-21(27)22(30-31(23)8-2)24(32)29-16-26(33)11-9-17(3)10-12-26;1-7-32-21(18-9-8-17(13-25(4,5)6)30-23(18)36-24(27)28)16(3)20(31-32)22(34)29-14-26(35)11-10-15(2)12-19(26)33;1-7-32-21(19-9-8-18(14-25(4,5)6)30-23(19)35-24(27)28)17(3)20(31-32)22(33)29-15-26(34)12-10-16(2)11-13-26;1-6-32-21(19-17(35-23(27)28)11-16(13-29-19)12-24(3,4)5)18(26)20(31-32)22(33)30-14-25(34)9-7-15(2)8-10-25;1-6-32-22(20-18(34-24(27)28)11-17(14-29-20)12-25(3,4)5)19(26)21(31-32)23(33)30-13-16-9-7-15(2)8-10-16;1-6-18-13-19(12-16(3)4)27-14-20(18)23-21(26)22(29-30(23)7-2)24(31)28-15-25(32)10-8-17(5)9-11-25;7*1-3-2/h12,15-17H,7-11,13-14H2,1-6H3,(H,31,34);13,15,17,33H,7-12,14,16H2,1-6H3,(H,29,32);8-9,15,19,24,33,35H,7,10-14H2,1-6H3,(H,29,34);8-9,16,24,34H,7,10-15H2,1-6H3,(H,29,33);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);13-14,16-17,32H,6-12,15H2,1-5H3,(H,28,31);;;;;;;/t;;15-,19-,26-;;;;;;;;;;;/m..0.........../s1
InChIKeyFRGIPOGMKRBIQU-WHRZWGPBSA-N
XLogP33.76
TPSA815.95 Ų
H-Bond Donors13
H-Bond Acceptors52
Rotatable Bonds54
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003890.92
LogP ≤ 533.76
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1052

Analyze 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(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-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide)?
The IUPAC name of 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide) (CID 158117996) is 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide).
What is the SMILES notation for 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide)?
The canonical SMILES for 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide) is CCc1cc(CC(C)(C)C)ncc1-c1c(Cl)c(C(=O)NCC2(O)CCC(C)CC2)nn1CC.CCc1cc(CC(C)C)ncc1-c1c(Cl)c(C(=O)NCC2(O)CCC(C)CC2)nn1CC.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(C)c1-c1ccc(CC(C)(C)C)nc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1ncc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C)cc1C(C)(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1ncc(CC(C)(C)C)cc1OC(F)F.CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)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-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide)?
The InChIKey is FRGIPOGMKRBIQU-WHRZWGPBSA-N. The full InChI is InChI=1S/C26H37ClF2N4O.C26H39ClN4O2.C26H38F2N4O4.C26H38F2N4O3.C25H35ClF2N4O3.C25H35ClF2N4O2.C25H37ClN4O2.7O2S/c1-7-33-23(19-15-30-18(13-25(3,4)5)12-20(19)26(6,28)29)21(27)22(32-33)24(34)31-14-17-10-8-16(2)9-11-17;1-7-18-13-19(14-25(4,5)6)28-15-20(18)23-21(27)22(30-31(23)8-2)24(32)29-16-26(33)11-9-17(3)10-12-26;1-7-32-21(18-9-8-17(13-25(4,5)6)30-23(18)36-24(27)28)16(3)20(31-32)22(34)29-14-26(35)11-10-15(2)12-19(26)33;1-7-32-21(19-9-8-18(14-25(4,5)6)30-23(19)35-24(27)28)17(3)20(31-32)22(33)29-15-26(34)12-10-16(2)11-13-26;1-6-32-21(19-17(35-23(27)28)11-16(13-29-19)12-24(3,4)5)18(26)20(31-32)22(33)30-14-25(34)9-7-15(2)8-10-25;1-6-32-22(20-18(34-24(27)28)11-17(14-29-20)12-25(3,4)5)19(26)21(31-32)23(33)30-13-16-9-7-15(2)8-10-16;1-6-18-13-19(12-16(3)4)27-14-20(18)23-21(26)22(29-30(23)7-2)24(31)28-15-25(32)10-8-17(5)9-11-25;7*1-3-2/h12,15-17H,7-11,13-14H2,1-6H3,(H,31,34);13,15,17,33H,7-12,14,16H2,1-6H3,(H,29,32);8-9,15,19,24,33,35H,7,10-14H2,1-6H3,(H,29,34);8-9,16,24,34H,7,10-15H2,1-6H3,(H,29,33);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);13-14,16-17,32H,6-12,15H2,1-5H3,(H,28,31);;;;;;;/t;;15-,19-,26-;;;;;;;;;;;/m..0.........../s1.
What are the key properties of 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide)?
4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide) has a molecular weight of 3890.92 g/mol, XLogP of 33.76, 54 rotatable bonds, 13 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(1,1-difluoroethyl)-6-(2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[3-(difluoromethoxy)-5-(2,2-dimethylpropyl)-2-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-(2,2-dimethylpropyl)-4-ethyl-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylpropyl)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[2-(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-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpyrazole-3-carboxamide;heptakis(sulfur dioxide) is sourced from PubChem (CID 158117996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).