tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride

C126H154BBrClF4N27O25S — CID 167562283

IUPACtert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride
SMILESCOC(=O)c1c(-c2ccc(NC(=O)OC(C)(C)C)c(C)n2)cnn1C.COC(=O)c1c(B2OCC(C)(C)CO2)cnn1C.C[C@@H](O)c1cccc(F)c1.Cc1nc(-c2cnn(C)c2C(=O)O)ccc1NC(=O)OC(C)(C)C.Cc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1N.Cc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1NC(=O)OC(C)(C)C.Cc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1NS(C)(=O)=O.Cc1nc(Br)ccc1NC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C24H28FN5O4.C20H22FN5O4S.C19H20FN5O2.C17H22N4O4.C16H20N4O4.C11H17BN2O4.C11H15BrN2O2.C8H9FO.ClH/c1-14-19(28-23(32)34-24(3,4)5)10-11-20(27-14)18-13-26-30(6)21(18)29-22(31)33-15(2)16-8-7-9-17(25)12-16;1-12-17(25-31(4,28)29)8-9-18(23-12)16-11-22-26(3)19(16)24-20(27)30-13(2)14-6-5-7-15(21)10-14;1-11-16(21)7-8-17(23-11)15-10-22-25(3)18(15)24-19(26)27-12(2)13-5-4-6-14(20)9-13;1-10-12(20-16(23)25-17(2,3)4)7-8-13(19-10)11-9-18-21(5)14(11)15(22)24-6;1-9-11(19-15(23)24-16(2,3)4)6-7-12(18-9)10-8-17-20(5)13(10)14(21)22;1-11(2)6-17-12(18-7-11)8-5-13-14(3)9(8)10(15)16-4;1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4;1-6(10)7-3-2-4-8(9)5-7;/h7-13,15H,1-6H3,(H,28,32)(H,29,31);5-11,13,25H,1-4H3,(H,24,27);4-10,12H,21H2,1-3H3,(H,24,26);7-9H,1-6H3,(H,20,23);6-8H,1-5H3,(H,19,23)(H,21,22);5H,6-7H2,1-4H3;5-6H,1-4H3,(H,14,15);2-6,10H,1H3;1H/t15-;13-;12-;;;;;6-;/m111....1./s1
InChIKeySATBWMPKTSUHKP-LGXXBDKASA-N
MW2681.01 g/mol
LogP24.55
Rot. Bonds25

About tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride

tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride (PubChem CID 167562283) has the molecular formula C126H154BBrClF4N27O25S and a molecular weight of 2681.01 g/mol. Its IUPAC name is tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride
PubChem CID167562283
Molecular FormulaC126H154BBrClF4N27O25S
Molecular Weight2681.01 g/mol
Exact Mass2678.02
IUPAC Nametert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride
SMILESCOC(=O)c1c(-c2ccc(NC(=O)OC(C)(C)C)c(C)n2)cnn1C.COC(=O)c1c(B2OCC(C)(C)CO2)cnn1C.C[C@@H](O)c1cccc(F)c1.Cc1nc(-c2cnn(C)c2C(=O)O)ccc1NC(=O)OC(C)(C)C.Cc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1N.Cc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1NC(=O)OC(C)(C)C.Cc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1NS(C)(=O)=O.Cc1nc(Br)ccc1NC(=O)OC(C)(C)C.Cl
InChIInChI=1S/C24H28FN5O4.C20H22FN5O4S.C19H20FN5O2.C17H22N4O4.C16H20N4O4.C11H17BN2O4.C11H15BrN2O2.C8H9FO.ClH/c1-14-19(28-23(32)34-24(3,4)5)10-11-20(27-14)18-13-26-30(6)21(18)29-22(31)33-15(2)16-8-7-9-17(25)12-16;1-12-17(25-31(4,28)29)8-9-18(23-12)16-11-22-26(3)19(16)24-20(27)30-13(2)14-6-5-7-15(21)10-14;1-11-16(21)7-8-17(23-11)15-10-22-25(3)18(15)24-19(26)27-12(2)13-5-4-6-14(20)9-13;1-10-12(20-16(23)25-17(2,3)4)7-8-13(19-10)11-9-18-21(5)14(11)15(22)24-6;1-9-11(19-15(23)24-16(2,3)4)6-7-12(18-9)10-8-17-20(5)13(10)14(21)22;1-11(2)6-17-12(18-7-11)8-5-13-14(3)9(8)10(15)16-4;1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4;1-6(10)7-3-2-4-8(9)5-7;/h7-13,15H,1-6H3,(H,28,32)(H,29,31);5-11,13,25H,1-4H3,(H,24,27);4-10,12H,21H2,1-3H3,(H,24,26);7-9H,1-6H3,(H,20,23);6-8H,1-5H3,(H,19,23)(H,21,22);5H,6-7H2,1-4H3;5-6H,1-4H3,(H,14,15);2-6,10H,1H3;1H/t15-;13-;12-;;;;;6-;/m111....1./s1
InChIKeySATBWMPKTSUHKP-LGXXBDKASA-N
XLogP24.55
TPSA653.35 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds25
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002681.01
LogP ≤ 524.55
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;(1R)-1-(2,3-difluorophenyl)ethanol;[(1R)-1-(2,3-difluorophenyl)ethyl] N-[5-(5-bromo-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1R)-1-(2,3-difluorophenyl)ethyl] N-[5-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-3-methyltriazol-4-yl]carbamate
CID 159074741
(3-amino-6-bromo-2-pyridinyl)methanol;(3-amino-2-pyridinyl)methanol;6-bromo-2-(methoxymethyl)pyridin-3-amine;N-[6-bromo-2-(methoxymethyl)-3-pyridinyl]methanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethanol;[(1R)-1-(2-chloro-5-fluoro-3-pyridinyl)ethyl] N-[5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;5-[5-(methanesulfonamido)-6-(methoxymethyl)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid
CID 160909047
5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylic acid;tert-butyl N-[6-[5-[[(1S)-2,2-difluoro-1-phenylethoxy]carbonylamino]-1-methyltriazol-4-yl]-3-pyridinyl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-(5-amino-2-pyridinyl)-3-methyltriazol-4-yl]carbamate;[(1S)-2,2-difluoro-1-phenylethyl] N-[5-[5-(cyanomethylsulfonylamino)-2-pyridinyl]-3-methyltriazol-4-yl]carbamate;methyl 5-(5-bromo-2-pyridinyl)-3-methyltriazole-4-carboxylate;methyl 3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylate;3-methyl-5-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]triazole-4-carboxylic acid;hydrochloride
CID 161211007

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride?
The IUPAC name of tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride (CID 167562283) is tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride.
What is the SMILES notation for tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride?
The canonical SMILES for tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride is COC(=O)c1c(-c2ccc(NC(=O)OC(C)(C)C)c(C)n2)cnn1C.COC(=O)c1c(B2OCC(C)(C)CO2)cnn1C.C[C@@H](O)c1cccc(F)c1.Cc1nc(-c2cnn(C)c2C(=O)O)ccc1NC(=O)OC(C)(C)C.Cc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1N.Cc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1NC(=O)OC(C)(C)C.Cc1nc(-c2cnn(C)c2NC(=O)O[C@H](C)c2cccc(F)c2)ccc1NS(C)(=O)=O.Cc1nc(Br)ccc1NC(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride?
The InChIKey is SATBWMPKTSUHKP-LGXXBDKASA-N. The full InChI is InChI=1S/C24H28FN5O4.C20H22FN5O4S.C19H20FN5O2.C17H22N4O4.C16H20N4O4.C11H17BN2O4.C11H15BrN2O2.C8H9FO.ClH/c1-14-19(28-23(32)34-24(3,4)5)10-11-20(27-14)18-13-26-30(6)21(18)29-22(31)33-15(2)16-8-7-9-17(25)12-16;1-12-17(25-31(4,28)29)8-9-18(23-12)16-11-22-26(3)19(16)24-20(27)30-13(2)14-6-5-7-15(21)10-14;1-11-16(21)7-8-17(23-11)15-10-22-25(3)18(15)24-19(26)27-12(2)13-5-4-6-14(20)9-13;1-10-12(20-16(23)25-17(2,3)4)7-8-13(19-10)11-9-18-21(5)14(11)15(22)24-6;1-9-11(19-15(23)24-16(2,3)4)6-7-12(18-9)10-8-17-20(5)13(10)14(21)22;1-11(2)6-17-12(18-7-11)8-5-13-14(3)9(8)10(15)16-4;1-7-8(5-6-9(12)13-7)14-10(15)16-11(2,3)4;1-6(10)7-3-2-4-8(9)5-7;/h7-13,15H,1-6H3,(H,28,32)(H,29,31);5-11,13,25H,1-4H3,(H,24,27);4-10,12H,21H2,1-3H3,(H,24,26);7-9H,1-6H3,(H,20,23);6-8H,1-5H3,(H,19,23)(H,21,22);5H,6-7H2,1-4H3;5-6H,1-4H3,(H,14,15);2-6,10H,1H3;1H/t15-;13-;12-;;;;;6-;/m111....1./s1.
What are the key properties of tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride?
tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride has a molecular weight of 2681.01 g/mol, XLogP of 24.55, 25 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate;tert-butyl N-[6-[5-[[(1R)-1-(3-fluorophenyl)ethoxy]carbonylamino]-1-methylpyrazol-4-yl]-2-methyl-3-pyridinyl]carbamate;(1R)-1-(3-fluorophenyl)ethanol;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-(5-amino-6-methyl-2-pyridinyl)-1-methylpyrazol-5-yl]carbamate;[(1R)-1-(3-fluorophenyl)ethyl] N-[4-[5-(methanesulfonamido)-6-methyl-2-pyridinyl]-1-methylpyrazol-5-yl]carbamate;methyl 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyrazole-5-carboxylate;methyl 1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylate;1-methyl-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]pyrazole-5-carboxylic acid;hydrochloride is sourced from PubChem (CID 167562283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).