4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)

C127H180Cl5F8N25O23S5 — CID 158006808

IUPAC4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1C(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC2CC2)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H](C)CC2CC2)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@H](C)CC2CC2)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)C)cc1OC.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C27H38ClF2N5O3.2C26H36ClF2N5O3.C25H36ClF2N5O2.C23H34ClN5O2.5O2S/c1-5-35-23(21(28)22(34-35)24(36)32-15-27(37)10-8-16(2)9-11-27)18-14-31-20(12-19(18)38-25(29)30)33-26(3,4)13-17-6-7-17;2*1-4-34-23(21(27)22(33-34)24(35)31-14-26(36)9-7-15(2)8-10-26)18-13-30-20(12-19(18)37-25(28)29)32-16(3)11-17-5-6-17;1-6-24(4,5)31-18-12-16(22(27)28)17(13-29-18)21-19(26)20(32-33(21)7-2)23(34)30-14-25(35)10-8-15(3)9-11-25;1-6-29-22(17-13-25-19(27-14(2)3)11-18(17)31-5)20(24)21(28-29)23(30)26-12-16-9-7-15(4)8-10-16;5*1-3-2/h12,14,16-17,25,37H,5-11,13,15H2,1-4H3,(H,31,33)(H,32,36);2*12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35);12-13,15,22,35H,6-11,14H2,1-5H3,(H,29,31)(H,30,34);11,13-16H,6-10,12H2,1-5H3,(H,25,27)(H,26,30);;;;;/t;2*15?,16-,26?;;;;;;;/m.10......./s1
InChIKeyFEJVLMKWGIVXQD-LPRBGIFBSA-N
MW2914.57 g/mol
LogP24.34
Rot. Bonds50

About 4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)

4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) (PubChem CID 158006808) has the molecular formula C127H180Cl5F8N25O23S5 and a molecular weight of 2914.57 g/mol. Its IUPAC name is 4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide).

Molecular Properties

Compound Name4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)
PubChem CID158006808
Molecular FormulaC127H180Cl5F8N25O23S5
Molecular Weight2914.57 g/mol
Exact Mass2910.06
IUPAC Name4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)
SMILESCCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1C(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC2CC2)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H](C)CC2CC2)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@H](C)CC2CC2)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)C)cc1OC.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O
InChIInChI=1S/C27H38ClF2N5O3.2C26H36ClF2N5O3.C25H36ClF2N5O2.C23H34ClN5O2.5O2S/c1-5-35-23(21(28)22(34-35)24(36)32-15-27(37)10-8-16(2)9-11-27)18-14-31-20(12-19(18)38-25(29)30)33-26(3,4)13-17-6-7-17;2*1-4-34-23(21(27)22(33-34)24(35)31-14-26(36)9-7-15(2)8-10-26)18-13-30-20(12-19(18)37-25(28)29)32-16(3)11-17-5-6-17;1-6-24(4,5)31-18-12-16(22(27)28)17(13-29-18)21-19(26)20(32-33(21)7-2)23(34)30-14-25(35)10-8-15(3)9-11-25;1-6-29-22(17-13-25-19(27-14(2)3)11-18(17)31-5)20(24)21(28-29)23(30)26-12-16-9-7-15(4)8-10-16;5*1-3-2/h12,14,16-17,25,37H,5-11,13,15H2,1-4H3,(H,31,33)(H,32,36);2*12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35);12-13,15,22,35H,6-11,14H2,1-5H3,(H,29,31)(H,30,34);11,13-16H,6-10,12H2,1-5H3,(H,25,27)(H,26,30);;;;;/t;2*15?,16-,26?;;;;;;;/m.10......./s1
InChIKeyFEJVLMKWGIVXQD-LPRBGIFBSA-N
XLogP24.34
TPSA647.74 Ų
H-Bond Donors14
H-Bond Acceptors43
Rotatable Bonds50
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002914.57
LogP ≤ 524.34
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1043

Analyze 4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-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-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
The IUPAC name of 4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) (CID 158006808) is 4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide).
What is the SMILES notation for 4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
The canonical SMILES for 4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) is CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC)cc1C(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)(C)CC2CC2)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@@H](C)CC2CC2)cc1OC(F)F.CCn1nc(C(=O)NCC2(O)CCC(C)CC2)c(Cl)c1-c1cnc(N[C@H](C)CC2CC2)cc1OC(F)F.CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(NC(C)C)cc1OC.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.
What is the InChIKey of 4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
The InChIKey is FEJVLMKWGIVXQD-LPRBGIFBSA-N. The full InChI is InChI=1S/C27H38ClF2N5O3.2C26H36ClF2N5O3.C25H36ClF2N5O2.C23H34ClN5O2.5O2S/c1-5-35-23(21(28)22(34-35)24(36)32-15-27(37)10-8-16(2)9-11-27)18-14-31-20(12-19(18)38-25(29)30)33-26(3,4)13-17-6-7-17;2*1-4-34-23(21(27)22(33-34)24(35)31-14-26(36)9-7-15(2)8-10-26)18-13-30-20(12-19(18)37-25(28)29)32-16(3)11-17-5-6-17;1-6-24(4,5)31-18-12-16(22(27)28)17(13-29-18)21-19(26)20(32-33(21)7-2)23(34)30-14-25(35)10-8-15(3)9-11-25;1-6-29-22(17-13-25-19(27-14(2)3)11-18(17)31-5)20(24)21(28-29)23(30)26-12-16-9-7-15(4)8-10-16;5*1-3-2/h12,14,16-17,25,37H,5-11,13,15H2,1-4H3,(H,31,33)(H,32,36);2*12-13,15-17,25,36H,4-11,14H2,1-3H3,(H,30,32)(H,31,35);12-13,15,22,35H,6-11,14H2,1-5H3,(H,29,31)(H,30,34);11,13-16H,6-10,12H2,1-5H3,(H,25,27)(H,26,30);;;;;/t;2*15?,16-,26?;;;;;;;/m.10......./s1.
What are the key properties of 4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide)?
4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) has a molecular weight of 2914.57 g/mol, XLogP of 24.34, 50 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[6-[(1-cyclopropyl-2-methylpropan-2-yl)amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2S)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[6-[[(2R)-1-cyclopropylpropan-2-yl]amino]-4-(difluoromethoxy)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-5-[4-(difluoromethyl)-6-(2-methylbutan-2-ylamino)-3-pyridinyl]-1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;4-chloro-1-ethyl-5-[4-methoxy-6-(propan-2-ylamino)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide;pentakis(sulfur dioxide) is sourced from PubChem (CID 158006808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).