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

C147H205Cl5F18N30O29S6 — CID 157265910

IUPAC4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NC[C@@H]2CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NC[C@H]2CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@H](C)C[C@H]2O)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/C26H39F2N5O2.C25H36ClF2N5O4.2C25H36ClF2N5O3.C23H29ClF5N5O3.C23H29ClF5N5O2.6O2S/c1-7-26(5,6)31-21-13-20(35-25(27)28)19(15-29-21)23-17(4)22(32-33(23)8-2)24(34)30-14-18-11-9-16(3)10-12-18;1-6-24(4,5)31-18-11-16(37-23(27)28)15(12-29-18)21-19(26)20(32-33(21)7-2)22(35)30-13-25(36)9-8-14(3)10-17(25)34;2*1-6-25(4,5)31-19-11-18(36-24(27)28)16(13-29-19)22-20(26)21(32-33(22)7-2)23(35)30-12-15-9-8-14(3)10-17(15)34;1-4-34-19(14-10-30-16(9-15(14)37-21(25)26)32-13(3)23(27,28)29)17(24)18(33-34)20(35)31-11-22(36)7-5-12(2)6-8-22;1-4-34-20(18(24)19(33-34)21(35)31-10-14-7-5-12(2)6-8-14)15-11-30-17(9-16(15)36-22(25)26)32-13(3)23(27,28)29;6*1-3-2/h13,15-16,18,25H,7-12,14H2,1-6H3,(H,29,31)(H,30,34);11-12,14,17,23,34,36H,6-10,13H2,1-5H3,(H,29,31)(H,30,35);2*11,13-15,17,24,34H,6-10,12H2,1-5H3,(H,29,31)(H,30,35);9-10,12-13,21,36H,4-8,11H2,1-3H3,(H,30,32)(H,31,35);9,11-14,22H,4-8,10H2,1-3H3,(H,30,32)(H,31,35);;;;;;/t;14-,17+,25+;2*14-,15+,17-;;;;;;;;/m.010......../s1
InChIKeyAXZLCHDIIMITIN-LKINWZEOSA-N
MW3568.07 g/mol
LogP28.56
Rot. Bonds58

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

4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) (PubChem CID 157265910) has the molecular formula C147H205Cl5F18N30O29S6 and a molecular weight of 3568.07 g/mol. Its IUPAC name is 4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide).

Molecular Properties

Compound Name4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)
PubChem CID157265910
Molecular FormulaC147H205Cl5F18N30O29S6
Molecular Weight3568.07 g/mol
Exact Mass3563.20
IUPAC Name4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NC[C@@H]2CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NC[C@H]2CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@H](C)C[C@H]2O)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/C26H39F2N5O2.C25H36ClF2N5O4.2C25H36ClF2N5O3.C23H29ClF5N5O3.C23H29ClF5N5O2.6O2S/c1-7-26(5,6)31-21-13-20(35-25(27)28)19(15-29-21)23-17(4)22(32-33(23)8-2)24(34)30-14-18-11-9-16(3)10-12-18;1-6-24(4,5)31-18-11-16(37-23(27)28)15(12-29-18)21-19(26)20(32-33(21)7-2)22(35)30-13-25(36)9-8-14(3)10-17(25)34;2*1-6-25(4,5)31-19-11-18(36-24(27)28)16(13-29-19)22-20(26)21(32-33(22)7-2)23(35)30-12-15-9-8-14(3)10-17(15)34;1-4-34-19(14-10-30-16(9-15(14)37-21(25)26)32-13(3)23(27,28)29)17(24)18(33-34)20(35)31-11-22(36)7-5-12(2)6-8-22;1-4-34-20(18(24)19(33-34)21(35)31-10-14-7-5-12(2)6-8-14)15-11-30-17(9-16(15)36-22(25)26)32-13(3)23(27,28)29;6*1-3-2/h13,15-16,18,25H,7-12,14H2,1-6H3,(H,29,31)(H,30,34);11-12,14,17,23,34,36H,6-10,13H2,1-5H3,(H,29,31)(H,30,35);2*11,13-15,17,24,34H,6-10,12H2,1-5H3,(H,29,31)(H,30,35);9-10,12-13,21,36H,4-8,11H2,1-3H3,(H,30,32)(H,31,35);9,11-14,22H,4-8,10H2,1-3H3,(H,30,32)(H,31,35);;;;;;/t;14-,17+,25+;2*14-,15+,17-;;;;;;;;/m.010......../s1
InChIKeyAXZLCHDIIMITIN-LKINWZEOSA-N
XLogP28.56
TPSA792.41 Ų
H-Bond Donors17
H-Bond Acceptors53
Rotatable Bonds58
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003568.07
LogP ≤ 528.56
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1053

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)?
The IUPAC name of 4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) (CID 157265910) is 4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide).
What is the SMILES notation for 4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)?
The canonical SMILES for 4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(C)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)C(F)(F)F)cc1OC(F)F.CCn1nc(C(=O)NC[C@@H]2CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NC[C@H]2CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1OC(F)F.CCn1nc(C(=O)NC[C@]2(O)CC[C@H](C)C[C@H]2O)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 4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)?
The InChIKey is AXZLCHDIIMITIN-LKINWZEOSA-N. The full InChI is InChI=1S/C26H39F2N5O2.C25H36ClF2N5O4.2C25H36ClF2N5O3.C23H29ClF5N5O3.C23H29ClF5N5O2.6O2S/c1-7-26(5,6)31-21-13-20(35-25(27)28)19(15-29-21)23-17(4)22(32-33(23)8-2)24(34)30-14-18-11-9-16(3)10-12-18;1-6-24(4,5)31-18-11-16(37-23(27)28)15(12-29-18)21-19(26)20(32-33(21)7-2)22(35)30-13-25(36)9-8-14(3)10-17(25)34;2*1-6-25(4,5)31-19-11-18(36-24(27)28)16(13-29-19)22-20(26)21(32-33(22)7-2)23(35)30-12-15-9-8-14(3)10-17(15)34;1-4-34-19(14-10-30-16(9-15(14)37-21(25)26)32-13(3)23(27,28)29)17(24)18(33-34)20(35)31-11-22(36)7-5-12(2)6-8-22;1-4-34-20(18(24)19(33-34)21(35)31-10-14-7-5-12(2)6-8-14)15-11-30-17(9-16(15)36-22(25)26)32-13(3)23(27,28)29;6*1-3-2/h13,15-16,18,25H,7-12,14H2,1-6H3,(H,29,31)(H,30,34);11-12,14,17,23,34,36H,6-10,13H2,1-5H3,(H,29,31)(H,30,35);2*11,13-15,17,24,34H,6-10,12H2,1-5H3,(H,29,31)(H,30,35);9-10,12-13,21,36H,4-8,11H2,1-3H3,(H,30,32)(H,31,35);9,11-14,22H,4-8,10H2,1-3H3,(H,30,32)(H,31,35);;;;;;/t;14-,17+,25+;2*14-,15+,17-;;;;;;;;/m.010......../s1.
What are the key properties of 4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide)?
4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) has a molecular weight of 3568.07 g/mol, XLogP of 28.56, 58 rotatable bonds, 17 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-N-[[(1R,2R,4S)-1,2-dihydroxy-4-methylcyclohexyl]methyl]-1-ethylpyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[[(1R,2S,4S)-2-hydroxy-4-methylcyclohexyl]methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethoxy)-6-(1,1,1-trifluoropropan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;5-[4-(difluoromethoxy)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-4-methyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;hexakis(sulfur dioxide) is sourced from PubChem (CID 157265910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).