5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)

C148H214Cl6F10N30O26S6 — CID 158559098

IUPAC5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)
SMILESCC[C@@H](C)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3CCC(C)CC3)nn2CC)cn1.CC[C@H](C)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1.CC[C@H](C)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3CCC(C)CC3)nn2CC)cn1.CCc1cc(NC(C)(C)CC)ncc1-c1c(Cl)c(C(=O)NCC2(O)CCC(C)CC2)nn1CC.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C26H40ClN5O2.C25H36ClF2N5O3.C25H36ClF2N5O2.C24H34ClF2N5O3.2C24H34ClF2N5O2.6O2S/c1-7-18-14-20(30-25(5,6)8-2)28-15-19(18)23-21(27)22(31-32(23)9-3)24(33)29-16-26(34)12-10-17(4)11-13-26;1-6-24(4,5)31-18-12-17(36-23(27)28)16(13-29-18)21-19(26)20(32-33(21)7-2)22(34)30-14-25(35)10-8-15(3)9-11-25;1-6-25(4,5)31-19-12-18(35-24(27)28)17(14-29-19)22-20(26)21(32-33(22)7-2)23(34)30-13-16-10-8-15(3)9-11-16;1-5-15(4)30-18-11-17(35-23(26)27)16(12-28-18)21-19(25)20(31-32(21)6-2)22(33)29-13-24(34)9-7-14(3)8-10-24;2*1-5-15(4)30-19-11-18(34-24(26)27)17(13-28-19)22-20(25)21(31-32(22)6-2)23(33)29-12-16-9-7-14(3)8-10-16;6*1-3-2/h14-15,17,34H,7-13,16H2,1-6H3,(H,28,30)(H,29,33);12-13,15,23,35H,6-11,14H2,1-5H3,(H,29,31)(H,30,34);12,14-16,24H,6-11,13H2,1-5H3,(H,29,31)(H,30,34);11-12,14-15,23,34H,5-10,13H2,1-4H3,(H,28,30)(H,29,33);2*11,13-16,24H,5-10,12H2,1-4H3,(H,28,30)(H,29,33);;;;;;/t;;;14?,15-,24?;2*14?,15-,16?;;;;;;/m...010....../s1
InChIKeyHQQUXZNVAULFCC-IZBXJWHCSA-N
MW3424.62 g/mol
LogP30.37
Rot. Bonds59

About 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)

5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) (PubChem CID 158559098) has the molecular formula C148H214Cl6F10N30O26S6 and a molecular weight of 3424.62 g/mol. Its IUPAC name is 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide).

Molecular Properties

Compound Name5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)
PubChem CID158559098
Molecular FormulaC148H214Cl6F10N30O26S6
Molecular Weight3424.62 g/mol
Exact Mass3419.26
IUPAC Name5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)
SMILESCC[C@@H](C)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3CCC(C)CC3)nn2CC)cn1.CC[C@H](C)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1.CC[C@H](C)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3CCC(C)CC3)nn2CC)cn1.CCc1cc(NC(C)(C)CC)ncc1-c1c(Cl)c(C(=O)NCC2(O)CCC(C)CC2)nn1CC.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C26H40ClN5O2.C25H36ClF2N5O3.C25H36ClF2N5O2.C24H34ClF2N5O3.2C24H34ClF2N5O2.6O2S/c1-7-18-14-20(30-25(5,6)8-2)28-15-19(18)23-21(27)22(31-32(23)9-3)24(33)29-16-26(34)12-10-17(4)11-13-26;1-6-24(4,5)31-18-12-17(36-23(27)28)16(13-29-18)21-19(26)20(32-33(21)7-2)22(34)30-14-25(35)10-8-15(3)9-11-25;1-6-25(4,5)31-19-12-18(35-24(27)28)17(14-29-19)22-20(26)21(32-33(22)7-2)23(34)30-13-16-10-8-15(3)9-11-16;1-5-15(4)30-18-11-17(35-23(26)27)16(12-28-18)21-19(25)20(31-32(21)6-2)22(33)29-13-24(34)9-7-14(3)8-10-24;2*1-5-15(4)30-19-11-18(34-24(26)27)17(13-28-19)22-20(25)21(31-32(22)6-2)23(33)29-12-16-9-7-14(3)8-10-16;6*1-3-2/h14-15,17,34H,7-13,16H2,1-6H3,(H,28,30)(H,29,33);12-13,15,23,35H,6-11,14H2,1-5H3,(H,29,31)(H,30,34);12,14-16,24H,6-11,13H2,1-5H3,(H,29,31)(H,30,34);11-12,14-15,23,34H,5-10,13H2,1-4H3,(H,28,30)(H,29,33);2*11,13-16,24H,5-10,12H2,1-4H3,(H,28,30)(H,29,33);;;;;;/t;;;14?,15-,24?;2*14?,15-,16?;;;;;;/m...010....../s1
InChIKeyHQQUXZNVAULFCC-IZBXJWHCSA-N
XLogP30.37
TPSA742.72 Ų
H-Bond Donors15
H-Bond Acceptors50
Rotatable Bonds59
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003424.62
LogP ≤ 530.37
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1050

Analyze 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)?
The IUPAC name of 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) (CID 158559098) is 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide).
What is the SMILES notation for 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)?
The canonical SMILES for 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) is CC[C@@H](C)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3CCC(C)CC3)nn2CC)cn1.CC[C@H](C)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3(O)CCC(C)CC3)nn2CC)cn1.CC[C@H](C)Nc1cc(OC(F)F)c(-c2c(Cl)c(C(=O)NCC3CCC(C)CC3)nn2CC)cn1.CCc1cc(NC(C)(C)CC)ncc1-c1c(Cl)c(C(=O)NCC2(O)CCC(C)CC2)nn1CC.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.
What is the InChIKey of 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)?
The InChIKey is HQQUXZNVAULFCC-IZBXJWHCSA-N. The full InChI is InChI=1S/C26H40ClN5O2.C25H36ClF2N5O3.C25H36ClF2N5O2.C24H34ClF2N5O3.2C24H34ClF2N5O2.6O2S/c1-7-18-14-20(30-25(5,6)8-2)28-15-19(18)23-21(27)22(31-32(23)9-3)24(33)29-16-26(34)12-10-17(4)11-13-26;1-6-24(4,5)31-18-12-17(36-23(27)28)16(13-29-18)21-19(26)20(32-33(21)7-2)22(34)30-14-25(35)10-8-15(3)9-11-25;1-6-25(4,5)31-19-12-18(35-24(27)28)17(14-29-19)22-20(26)21(32-33(22)7-2)23(34)30-13-16-10-8-15(3)9-11-16;1-5-15(4)30-18-11-17(35-23(26)27)16(12-28-18)21-19(25)20(31-32(21)6-2)22(33)29-13-24(34)9-7-14(3)8-10-24;2*1-5-15(4)30-19-11-18(34-24(26)27)17(13-28-19)22-20(25)21(31-32(22)6-2)23(33)29-12-16-9-7-14(3)8-10-16;6*1-3-2/h14-15,17,34H,7-13,16H2,1-6H3,(H,28,30)(H,29,33);12-13,15,23,35H,6-11,14H2,1-5H3,(H,29,31)(H,30,34);12,14-16,24H,6-11,13H2,1-5H3,(H,29,31)(H,30,34);11-12,14-15,23,34H,5-10,13H2,1-4H3,(H,28,30)(H,29,33);2*11,13-16,24H,5-10,12H2,1-4H3,(H,28,30)(H,29,33);;;;;;/t;;;14?,15-,24?;2*14?,15-,16?;;;;;;/m...010....../s1.
What are the key properties of 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)?
5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) has a molecular weight of 3424.62 g/mol, XLogP of 30.37, 59 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2S)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[6-[[(2R)-butan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-4-chloro-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-ethyl-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) is sourced from PubChem (CID 158559098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).