[[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid

C122H153F8N30O33PS6 — CID 167623201

IUPAC[[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid
SMILESCCOC1CCC(n2cc(NC(=O)c3csc(-c4cnn(COC(=O)C[C@H](N)C(O)O)c4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3csc(-c4cnn(COC(=O)[C@@H](N)C(C)(C)C)c4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3csc(C4=CN(COC(=O)OC(C)C)NC4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3csc(C4=CN(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)NC4)n3)c(-c3nc(F)ccc3F)n2)CC1.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C34H44F2N7O12PS.C30H36F2N8O4S.C28H32F2N8O6S.C28H33F2N7O5S.2CH4O3S/c1-6-48-24-9-7-23(8-10-24)43-15-26(30(41-43)29-25(35)11-12-28(36)40-29)38-31(44)27-16-57-32(39-27)22-13-37-42(14-22)17-51-56(47,52-18-49-33(45)54-20(2)3)53-19-50-34(46)55-21(4)5;1-5-43-19-8-6-18(7-9-19)40-14-21(25(38-40)24-20(31)10-11-23(32)37-24)35-27(41)22-15-45-28(36-22)17-12-34-39(13-17)16-44-29(42)26(33)30(2,3)4;1-2-43-17-5-3-16(4-6-17)38-12-20(25(36-38)24-18(29)7-8-22(30)35-24)33-26(40)21-13-45-27(34-21)15-10-32-37(11-15)14-44-23(39)9-19(31)28(41)42;1-4-40-19-7-5-18(6-8-19)37-13-21(25(35-37)24-20(29)9-10-23(30)34-24)32-26(38)22-14-43-27(33-22)17-11-31-36(12-17)15-41-28(39)42-16(2)3;2*1-5(2,3)4/h11-12,14-16,20-21,23-24,37H,6-10,13,17-19H2,1-5H3,(H,38,44);10-15,18-19,26H,5-9,16,33H2,1-4H3,(H,35,41);7-8,10-13,16-17,19,28,41-42H,2-6,9,14,31H2,1H3,(H,33,40);9-10,12-14,16,18-19,31H,4-8,11,15H2,1-3H3,(H,32,38);2*1H3,(H,2,3,4)/t;18?,19?,26-;16?,17?,19-;;;/m.10.../s1
InChIKeyURYFNMZVJZFUFA-MFDVICKESA-N
MW2943.10 g/mol
LogP18.94
Rot. Bonds50

About [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid

[[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid (PubChem CID 167623201) has the molecular formula C122H153F8N30O33PS6 and a molecular weight of 2943.10 g/mol. Its IUPAC name is [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid.

Molecular Properties

Compound Name[[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid
PubChem CID167623201
Molecular FormulaC122H153F8N30O33PS6
Molecular Weight2943.10 g/mol
Exact Mass2940.92
IUPAC Name[[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid
SMILESCCOC1CCC(n2cc(NC(=O)c3csc(-c4cnn(COC(=O)C[C@H](N)C(O)O)c4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3csc(-c4cnn(COC(=O)[C@@H](N)C(C)(C)C)c4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3csc(C4=CN(COC(=O)OC(C)C)NC4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3csc(C4=CN(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)NC4)n3)c(-c3nc(F)ccc3F)n2)CC1.CS(=O)(=O)O.CS(=O)(=O)O
InChIInChI=1S/C34H44F2N7O12PS.C30H36F2N8O4S.C28H32F2N8O6S.C28H33F2N7O5S.2CH4O3S/c1-6-48-24-9-7-23(8-10-24)43-15-26(30(41-43)29-25(35)11-12-28(36)40-29)38-31(44)27-16-57-32(39-27)22-13-37-42(14-22)17-51-56(47,52-18-49-33(45)54-20(2)3)53-19-50-34(46)55-21(4)5;1-5-43-19-8-6-18(7-9-19)40-14-21(25(38-40)24-20(31)10-11-23(32)37-24)35-27(41)22-15-45-28(36-22)17-12-34-39(13-17)16-44-29(42)26(33)30(2,3)4;1-2-43-17-5-3-16(4-6-17)38-12-20(25(36-38)24-18(29)7-8-22(30)35-24)33-26(40)21-13-45-27(34-21)15-10-32-37(11-15)14-44-23(39)9-19(31)28(41)42;1-4-40-19-7-5-18(6-8-19)37-13-21(25(35-37)24-20(29)9-10-23(30)34-24)32-26(38)22-14-43-27(33-22)17-11-31-36(12-17)15-41-28(39)42-16(2)3;2*1-5(2,3)4/h11-12,14-16,20-21,23-24,37H,6-10,13,17-19H2,1-5H3,(H,38,44);10-15,18-19,26H,5-9,16,33H2,1-4H3,(H,35,41);7-8,10-13,16-17,19,28,41-42H,2-6,9,14,31H2,1H3,(H,33,40);9-10,12-14,16,18-19,31H,4-8,11,15H2,1-3H3,(H,32,38);2*1H3,(H,2,3,4)/t;18?,19?,26-;16?,17?,19-;;;/m.10.../s1
InChIKeyURYFNMZVJZFUFA-MFDVICKESA-N
XLogP18.94
TPSA799.09 Ų
H-Bond Donors12
H-Bond Acceptors61
Rotatable Bonds50
Heavy Atoms200
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002943.10
LogP ≤ 518.94
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid?
The IUPAC name of [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid (CID 167623201) is [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid.
What is the SMILES notation for [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid?
The canonical SMILES for [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid is CCOC1CCC(n2cc(NC(=O)c3csc(-c4cnn(COC(=O)C[C@H](N)C(O)O)c4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3csc(-c4cnn(COC(=O)[C@@H](N)C(C)(C)C)c4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3csc(C4=CN(COC(=O)OC(C)C)NC4)n3)c(-c3nc(F)ccc3F)n2)CC1.CCOC1CCC(n2cc(NC(=O)c3csc(C4=CN(COP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C)NC4)n3)c(-c3nc(F)ccc3F)n2)CC1.CS(=O)(=O)O.CS(=O)(=O)O.
What is the InChIKey of [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid?
The InChIKey is URYFNMZVJZFUFA-MFDVICKESA-N. The full InChI is InChI=1S/C34H44F2N7O12PS.C30H36F2N8O4S.C28H32F2N8O6S.C28H33F2N7O5S.2CH4O3S/c1-6-48-24-9-7-23(8-10-24)43-15-26(30(41-43)29-25(35)11-12-28(36)40-29)38-31(44)27-16-57-32(39-27)22-13-37-42(14-22)17-51-56(47,52-18-49-33(45)54-20(2)3)53-19-50-34(46)55-21(4)5;1-5-43-19-8-6-18(7-9-19)40-14-21(25(38-40)24-20(31)10-11-23(32)37-24)35-27(41)22-15-45-28(36-22)17-12-34-39(13-17)16-44-29(42)26(33)30(2,3)4;1-2-43-17-5-3-16(4-6-17)38-12-20(25(36-38)24-18(29)7-8-22(30)35-24)33-26(40)21-13-45-27(34-21)15-10-32-37(11-15)14-44-23(39)9-19(31)28(41)42;1-4-40-19-7-5-18(6-8-19)37-13-21(25(35-37)24-20(29)9-10-23(30)34-24)32-26(38)22-14-43-27(33-22)17-11-31-36(12-17)15-41-28(39)42-16(2)3;2*1-5(2,3)4/h11-12,14-16,20-21,23-24,37H,6-10,13,17-19H2,1-5H3,(H,38,44);10-15,18-19,26H,5-9,16,33H2,1-4H3,(H,35,41);7-8,10-13,16-17,19,28,41-42H,2-6,9,14,31H2,1H3,(H,33,40);9-10,12-14,16,18-19,31H,4-8,11,15H2,1-3H3,(H,32,38);2*1H3,(H,2,3,4)/t;18?,19?,26-;16?,17?,19-;;;/m.10.../s1.
What are the key properties of [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid?
[[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid has a molecular weight of 2943.10 g/mol, XLogP of 18.94, 50 rotatable bonds, 12 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methoxy-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]-1,5-dihydropyrazol-2-yl]methyl propan-2-yl carbonate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (3S)-3-amino-4,4-dihydroxybutanoate;[4-[4-[[3-(3,6-difluoro-2-pyridinyl)-1-(4-ethoxycyclohexyl)pyrazol-4-yl]carbamoyl]-1,3-thiazol-2-yl]pyrazol-1-yl]methyl (2S)-2-amino-3,3-dimethylbutanoate;methanesulfonic acid is sourced from PubChem (CID 167623201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).