1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C218H200ClFN60O14 — CID 159907183

IUPAC1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESC=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5C#N)ncc4c(N)n3)cc2C1O.C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5C#N)ncc4c(N)n3)cc2C1O.CC(=O)N1CC(n2cc(Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)cn2)C1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C4C(=O)NC[C@@H]43)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3[C@@H]4CNC(=O)[C@@H]43)ncc2c(N)n1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1Cl.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1F.[C-]#[N+]C[C@@H]1CC1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1
InChIInChI=1S/C23H23N7O.2C23H20N6O2.2C23H22N6O.2C21H19N5O2.C21H19N5O.C20H18ClN7O.C20H18FN7O/c1-14-5-3-4-6-19(14)21-7-16-8-22(25-10-20(16)23(24)28-21)27-17-9-26-30(11-17)18-12-29(13-18)15(2)31;2*1-10-3-18-16(21(30)11(2)27-18)7-14(10)19-5-12-6-20(26-9-17(12)22(25)28-19)29-23(31)15-4-13(15)8-24;2*1-13-5-3-4-6-16(13)20-7-14-8-21(25-11-19(14)22(24)27-20)28-23(30)18-9-17(18)15-10-26-29(2)12-15;2*1-10-4-2-3-5-12(10)15-6-11-7-16(23-8-13(11)19(22)25-15)26-21(28)18-14-9-24-20(27)17(14)18;1-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(22)25-18)26-21(27)16-7-14(16)10-23-2;2*1-11-5-3-4-6-13(11)18-17(21)14-7-16(23-9-15(14)19(22)27-18)26-20(29)25-12-8-24-28(2)10-12/h3-11,18H,12-13H2,1-2H3,(H2,24,28)(H,25,27);2*3,5-7,9,13,15,21,27,30H,2,4H2,1H3,(H2,25,28)(H,26,29,31);2*3-8,10-12,17-18H,9H2,1-2H3,(H2,24,27)(H,25,28,30);2*2-8,14,17-18H,9H2,1H3,(H2,22,25)(H,24,27)(H,23,26,28);3-6,8-9,11,14,16H,7,10H2,1H3,(H2,22,25)(H,24,26,27);2*3-10H,1-2H3,(H2,22,27)(H2,23,25,26,29)/t;2*13-,15+,21?;2*17-,18+;14-,17?,18+;14-,17+,18+;14-,16?;;/m.1010010../s1
InChIKeyNWSMNKBEQPHMIS-PBPJUCJXSA-N
MW3938.85 g/mol
LogP33.21
Rot. Bonds34

About 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 159907183) has the molecular formula C218H200ClFN60O14 and a molecular weight of 3938.85 g/mol. Its IUPAC name is 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID159907183
Molecular FormulaC218H200ClFN60O14
Molecular Weight3938.85 g/mol
Exact Mass3935.65
IUPAC Name1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESC=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5C#N)ncc4c(N)n3)cc2C1O.C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5C#N)ncc4c(N)n3)cc2C1O.CC(=O)N1CC(n2cc(Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)cn2)C1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C4C(=O)NC[C@@H]43)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3[C@@H]4CNC(=O)[C@@H]43)ncc2c(N)n1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1Cl.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1F.[C-]#[N+]C[C@@H]1CC1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1
InChIInChI=1S/C23H23N7O.2C23H20N6O2.2C23H22N6O.2C21H19N5O2.C21H19N5O.C20H18ClN7O.C20H18FN7O/c1-14-5-3-4-6-19(14)21-7-16-8-22(25-10-20(16)23(24)28-21)27-17-9-26-30(11-17)18-12-29(13-18)15(2)31;2*1-10-3-18-16(21(30)11(2)27-18)7-14(10)19-5-12-6-20(26-9-17(12)22(25)28-19)29-23(31)15-4-13(15)8-24;2*1-13-5-3-4-6-16(13)20-7-14-8-21(25-11-19(14)22(24)27-20)28-23(30)18-9-17(18)15-10-26-29(2)12-15;2*1-10-4-2-3-5-12(10)15-6-11-7-16(23-8-13(11)19(22)25-15)26-21(28)18-14-9-24-20(27)17(14)18;1-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(22)25-18)26-21(27)16-7-14(16)10-23-2;2*1-11-5-3-4-6-13(11)18-17(21)14-7-16(23-9-15(14)19(22)27-18)26-20(29)25-12-8-24-28(2)10-12/h3-11,18H,12-13H2,1-2H3,(H2,24,28)(H,25,27);2*3,5-7,9,13,15,21,27,30H,2,4H2,1H3,(H2,25,28)(H,26,29,31);2*3-8,10-12,17-18H,9H2,1-2H3,(H2,24,27)(H,25,28,30);2*2-8,14,17-18H,9H2,1H3,(H2,22,25)(H,24,27)(H,23,26,28);3-6,8-9,11,14,16H,7,10H2,1H3,(H2,22,25)(H,24,26,27);2*3-10H,1-2H3,(H2,22,27)(H2,23,25,26,29)/t;2*13-,15+,21?;2*17-,18+;14-,17?,18+;14-,17+,18+;14-,16?;;/m.1010010../s1
InChIKeyNWSMNKBEQPHMIS-PBPJUCJXSA-N
XLogP33.21
TPSA1100.06 Ų
H-Bond Donors28
H-Bond Acceptors59
Rotatable Bonds34
Heavy Atoms294
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003938.85
LogP ≤ 533.21
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1059

Analyze 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 159907183) is 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5C#N)ncc4c(N)n3)cc2C1O.C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@H]5C[C@@H]5C#N)ncc4c(N)n3)cc2C1O.CC(=O)N1CC(n2cc(Nc3cc4cc(-c5ccccc5C)nc(N)c4cn3)cn2)C1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C4C(=O)NC[C@@H]43)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3[C@@H]4CNC(=O)[C@@H]43)ncc2c(N)n1.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1Cl.Cc1ccccc1-c1nc(N)c2cnc(NC(=O)Nc3cnn(C)c3)cc2c1F.[C-]#[N+]C[C@@H]1CC1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.
What is the InChIKey of 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is NWSMNKBEQPHMIS-PBPJUCJXSA-N. The full InChI is InChI=1S/C23H23N7O.2C23H20N6O2.2C23H22N6O.2C21H19N5O2.C21H19N5O.C20H18ClN7O.C20H18FN7O/c1-14-5-3-4-6-19(14)21-7-16-8-22(25-10-20(16)23(24)28-21)27-17-9-26-30(11-17)18-12-29(13-18)15(2)31;2*1-10-3-18-16(21(30)11(2)27-18)7-14(10)19-5-12-6-20(26-9-17(12)22(25)28-19)29-23(31)15-4-13(15)8-24;2*1-13-5-3-4-6-16(13)20-7-14-8-21(25-11-19(14)22(24)27-20)28-23(30)18-9-17(18)15-10-26-29(2)12-15;2*1-10-4-2-3-5-12(10)15-6-11-7-16(23-8-13(11)19(22)25-15)26-21(28)18-14-9-24-20(27)17(14)18;1-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(22)25-18)26-21(27)16-7-14(16)10-23-2;2*1-11-5-3-4-6-13(11)18-17(21)14-7-16(23-9-15(14)19(22)27-18)26-20(29)25-12-8-24-28(2)10-12/h3-11,18H,12-13H2,1-2H3,(H2,24,28)(H,25,27);2*3,5-7,9,13,15,21,27,30H,2,4H2,1H3,(H2,25,28)(H,26,29,31);2*3-8,10-12,17-18H,9H2,1-2H3,(H2,24,27)(H,25,28,30);2*2-8,14,17-18H,9H2,1H3,(H2,22,25)(H,24,27)(H,23,26,28);3-6,8-9,11,14,16H,7,10H2,1H3,(H2,22,25)(H,24,26,27);2*3-10H,1-2H3,(H2,22,27)(H2,23,25,26,29)/t;2*13-,15+,21?;2*17-,18+;14-,17?,18+;14-,17+,18+;14-,16?;;/m.1010010../s1.
What are the key properties of 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 3938.85 g/mol, XLogP of 33.21, 34 rotatable bonds, 28 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-amino-5-chloro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(1-methylpyrazol-4-yl)urea;1-[3-[4-[[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]azetidin-1-yl]ethanone;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;(1S,5R,6S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;(5S,6R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(3-hydroxy-6-methyl-2-methylidene-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159907183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).