(2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C157H133Cl4F4N43O10 — CID 159925208

IUPAC(2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@]34CCNC(=O)C4)ncc2c(N)n1.Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(F)cccc4F)nc(N)c3cn2)cn1.Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4c(F)cccc4F)nc(N)c3cn2)cn1.N#CC[C@@H]1CC1C(=O)Nc1cc2cc(-c3c(Cl)cccc3Cl)nc(N)c2cn1.N#CC[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3c(Cl)cccc3Cl)nc(N)c2cn1
InChIInChI=1S/2C25H22N8O2.C23H23N5O2.2C22H18F2N6O.2C20H15Cl2N5O/c2*1-13-5-21(25-27-3-4-35-25)28-10-18(13)20-6-14-7-22(29-11-19(14)23(26)31-20)32-24(34)17-8-16(17)15-9-30-33(2)12-15;1-13-4-2-3-5-15(13)18-8-14-9-19(26-12-16(14)21(24)27-18)28-22(30)17-10-23(17)6-7-25-20(29)11-23;2*1-30-10-12(8-27-30)13-7-14(13)22(31)29-19-6-11-5-18(28-21(25)15(11)9-26-19)20-16(23)3-2-4-17(20)24;2*21-14-2-1-3-15(22)18(14)16-7-11-8-17(25-9-13(11)19(24)26-16)27-20(28)12-6-10(12)4-5-23/h2*3-7,9-12,16-17H,8H2,1-2H3,(H2,26,31)(H,29,32,34);2-5,8-9,12,17H,6-7,10-11H2,1H3,(H2,24,27)(H,25,29)(H,26,28,30);2*2-6,8-10,13-14H,7H2,1H3,(H2,25,28)(H,26,29,31);2*1-3,7-10,12H,4,6H2,(H2,24,26)(H,25,27,28)/t2*16-,17+;17-,23+;2*13-,14+;10-,12?;10-,12-/m1001010/s1
InChIKeyNYXRMYAUVAPGBF-HOQOULJNSA-N
MW2999.89 g/mol
LogP27.08
Rot. Bonds29

About (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

(2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 159925208) has the molecular formula C157H133Cl4F4N43O10 and a molecular weight of 2999.89 g/mol. Its IUPAC name is (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID159925208
Molecular FormulaC157H133Cl4F4N43O10
Molecular Weight2999.89 g/mol
Exact Mass2995.99
IUPAC Name(2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@]34CCNC(=O)C4)ncc2c(N)n1.Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(F)cccc4F)nc(N)c3cn2)cn1.Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4c(F)cccc4F)nc(N)c3cn2)cn1.N#CC[C@@H]1CC1C(=O)Nc1cc2cc(-c3c(Cl)cccc3Cl)nc(N)c2cn1.N#CC[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3c(Cl)cccc3Cl)nc(N)c2cn1
InChIInChI=1S/2C25H22N8O2.C23H23N5O2.2C22H18F2N6O.2C20H15Cl2N5O/c2*1-13-5-21(25-27-3-4-35-25)28-10-18(13)20-6-14-7-22(29-11-19(14)23(26)31-20)32-24(34)17-8-16(17)15-9-30-33(2)12-15;1-13-4-2-3-5-15(13)18-8-14-9-19(26-12-16(14)21(24)27-18)28-22(30)17-10-23(17)6-7-25-20(29)11-23;2*1-30-10-12(8-27-30)13-7-14(13)22(31)29-19-6-11-5-18(28-21(25)15(11)9-26-19)20-16(23)3-2-4-17(20)24;2*21-14-2-1-3-15(22)18(14)16-7-11-8-17(25-9-13(11)19(24)26-16)27-20(28)12-6-10(12)4-5-23/h2*3-7,9-12,16-17H,8H2,1-2H3,(H2,26,31)(H,29,32,34);2-5,8-9,12,17H,6-7,10-11H2,1H3,(H2,24,27)(H,25,29)(H,26,28,30);2*2-6,8-10,13-14H,7H2,1H3,(H2,25,28)(H,26,29,31);2*1-3,7-10,12H,4,6H2,(H2,24,26)(H,25,27,28)/t2*16-,17+;17-,23+;2*13-,14+;10-,12?;10-,12-/m1001010/s1
InChIKeyNYXRMYAUVAPGBF-HOQOULJNSA-N
XLogP27.08
TPSA792.10 Ų
H-Bond Donors15
H-Bond Acceptors45
Rotatable Bonds29
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002999.89
LogP ≤ 527.08
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1045

Analyze (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-N-[8-amino-6-[2-(cyanomethyl)-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methyl-6-prop-2-ynylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-prop-2-ynylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 157121417
(1R,2S,3R)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2S,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2R,3R)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-7-fluoro-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]isoquinolin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 157239127
Tert-butylbenzene;1-tert-butyl-4-chlorobenzene;2-tert-butyl-4-chloro-5-fluoropyridine;4-tert-butyl-2-chloro-1-methylbenzene;4-(3-tert-butyl-5-chlorophenyl)-1-methylpyrazole;1-tert-butyl-2-fluorobenzene;1-tert-butyl-4-fluorobenzene;2-tert-butyl-3-fluoropyridine;3-tert-butyl-5-fluoropyridine;4-tert-butyl-2-fluoropyridine;3-tert-butylisoquinoline;1-tert-butyl-4-methylbenzene;bis(2-tert-butyl-5-methylpyridine);3-tert-butyl-5-methylpyridine;4-tert-butyl-2-methylpyridine;4-(3-tert-butylphenyl)-1-methylpyrazole;4-(4-tert-butylphenyl)-1-methylpyrazole;2-(3-tert-butylphenyl)-1,3-oxazole;5-(4-tert-butylphenyl)-1,3-oxazole;2-tert-butylpyridine;6-tert-butylpyridine-2-carbonitrile;methane
CID 157649205
cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 158519925
(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-(3-methoxyazetidin-1-yl)bicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-3-morpholin-4-ylbicyclo[3.1.0]hexane-6-carboxamide;trans-(1S,2S)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1R,2R)-2-[1-[2-(2-aminoethoxy)ethyl]pyrazol-4-yl]-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 158738985
(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2S,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(2R,3R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2-methyl-6-phenylphenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 158742078
(1S,2S,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1S,2R,3S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;(1R,2S,3R)-N-[8-amino-6-(2-fluoro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-methyl-3-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(1,1,5-trimethyl-2,3-dihydroinden-4-yl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-(1-aminoethenyl)-2-fluoro-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-(1-aminoethenyl)-2-fluoro-6-methylphenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 158810074
trans-(1R,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-propan-2-yl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 159716455
(2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 159925207
cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 159990201
CID 160238848
CID 160238848
trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 161374273

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 159925208) is (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is Cc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(-c2ncco2)ncc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@]34CCNC(=O)C4)ncc2c(N)n1.Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3cc(-c4c(F)cccc4F)nc(N)c3cn2)cn1.Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3cc(-c4c(F)cccc4F)nc(N)c3cn2)cn1.N#CC[C@@H]1CC1C(=O)Nc1cc2cc(-c3c(Cl)cccc3Cl)nc(N)c2cn1.N#CC[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3c(Cl)cccc3Cl)nc(N)c2cn1.
What is the InChIKey of (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is NYXRMYAUVAPGBF-HOQOULJNSA-N. The full InChI is InChI=1S/2C25H22N8O2.C23H23N5O2.2C22H18F2N6O.2C20H15Cl2N5O/c2*1-13-5-21(25-27-3-4-35-25)28-10-18(13)20-6-14-7-22(29-11-19(14)23(26)31-20)32-24(34)17-8-16(17)15-9-30-33(2)12-15;1-13-4-2-3-5-15(13)18-8-14-9-19(26-12-16(14)21(24)27-18)28-22(30)17-10-23(17)6-7-25-20(29)11-23;2*1-30-10-12(8-27-30)13-7-14(13)22(31)29-19-6-11-5-18(28-21(25)15(11)9-26-19)20-16(23)3-2-4-17(20)24;2*21-14-2-1-3-15(22)18(14)16-7-11-8-17(25-9-13(11)19(24)26-16)27-20(28)12-6-10(12)4-5-23/h2*3-7,9-12,16-17H,8H2,1-2H3,(H2,26,31)(H,29,32,34);2-5,8-9,12,17H,6-7,10-11H2,1H3,(H2,24,27)(H,25,29)(H,26,28,30);2*2-6,8-10,13-14H,7H2,1H3,(H2,25,28)(H,26,29,31);2*1-3,7-10,12H,4,6H2,(H2,24,26)(H,25,27,28)/t2*16-,17+;17-,23+;2*13-,14+;10-,12?;10-,12-/m1001010/s1.
What are the key properties of (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
(2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2999.89 g/mol, XLogP of 27.08, 29 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;(2R,3S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-5-oxo-6-azaspiro[2.5]octane-2-carboxamide;cis-(1S,2R)-N-[8-amino-6-(2,6-dichlorophenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2,6-difluorophenyl)-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[4-methyl-6-(1,3-oxazol-2-yl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159925208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).