(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

C154H146F5N39O8 — CID 158810074

IUPAC(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
SMILESC=C(N)c1cc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c(F)c1.C=C(N)c1cc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c(F)c1.Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H]3[C@@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H]3[C@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccc2c(c1-c1cc3cc(NC(=O)[C@H]4C[C@@H]4CC#N)ncc3c(N)n1)CCC2(C)C.Cc1cccc(F)c1-c1cc2cc(NC(=O)[C@@H]3[C@@H](C)[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/2C27H24FN7O2.C26H27N5O.2C25H24FN7O.C24H23FN6O/c2*1-13-6-16(27-30-4-5-37-27)7-19(28)22(13)20-8-15-9-21(31-11-18(15)25(29)33-20)34-26(36)24-14(2)23(24)17-10-32-35(3)12-17;1-14-4-5-20-17(6-8-26(20,2)3)23(14)21-11-16-12-22(29-13-19(16)24(28)30-21)31-25(32)18-10-15(18)7-9-27;2*1-12-4-14(13(2)27)5-20(26)23(12)21-6-15-7-22(29-10-19(15)24(28)31-21)32-25(34)18-8-17(18)16-9-30-33(3)11-16;1-12-5-4-6-17(25)20(12)18-7-14-8-19(27-10-16(14)23(26)29-18)30-24(32)22-13(2)21(22)15-9-28-31(3)11-15/h2*4-12,14,23-24H,1-3H3,(H2,29,33)(H,31,34,36);4-5,11-13,15,18H,6-8,10H2,1-3H3,(H2,28,30)(H,29,31,32);2*4-7,9-11,17-18H,2,8,27H2,1,3H3,(H2,28,31)(H,29,32,34);4-11,13,21-22H,1-3H3,(H2,26,29)(H,27,30,32)/t14-,23+,24-;14-,23-,24+;15-,18-;2*17-,18+;13-,21-,22+/m010100/s1
InChIKeyIUOLOVSDWDZGEK-PETRPVFDSA-N
MW2766.12 g/mol
LogP25.82
Rot. Bonds28

About (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

(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 (PubChem CID 158810074) has the molecular formula C154H146F5N39O8 and a molecular weight of 2766.12 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158810074
Molecular FormulaC154H146F5N39O8
Molecular Weight2766.12 g/mol
Exact Mass2764.21
IUPAC Name(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
SMILESC=C(N)c1cc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c(F)c1.C=C(N)c1cc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c(F)c1.Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H]3[C@@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H]3[C@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccc2c(c1-c1cc3cc(NC(=O)[C@H]4C[C@@H]4CC#N)ncc3c(N)n1)CCC2(C)C.Cc1cccc(F)c1-c1cc2cc(NC(=O)[C@@H]3[C@@H](C)[C@H]3c3cnn(C)c3)ncc2c(N)n1
InChIInChI=1S/2C27H24FN7O2.C26H27N5O.2C25H24FN7O.C24H23FN6O/c2*1-13-6-16(27-30-4-5-37-27)7-19(28)22(13)20-8-15-9-21(31-11-18(15)25(29)33-20)34-26(36)24-14(2)23(24)17-10-32-35(3)12-17;1-14-4-5-20-17(6-8-26(20,2)3)23(14)21-11-16-12-22(29-13-19(16)24(28)30-21)31-25(32)18-10-15(18)7-9-27;2*1-12-4-14(13(2)27)5-20(26)23(12)21-6-15-7-22(29-10-19(15)24(28)31-21)32-25(34)18-8-17(18)16-9-30-33(3)11-16;1-12-5-4-6-17(25)20(12)18-7-14-8-19(27-10-16(14)23(26)29-18)30-24(32)22-13(2)21(22)15-9-28-31(3)11-15/h2*4-12,14,23-24H,1-3H3,(H2,29,33)(H,31,34,36);4-5,11-13,15,18H,6-8,10H2,1-3H3,(H2,28,30)(H,29,31,32);2*4-7,9-11,17-18H,2,8,27H2,1,3H3,(H2,28,31)(H,29,32,34);4-11,13,21-22H,1-3H3,(H2,26,29)(H,27,30,32)/t14-,23+,24-;14-,23-,24+;15-,18-;2*17-,18+;13-,21-,22+/m010100/s1
InChIKeyIUOLOVSDWDZGEK-PETRPVFDSA-N
XLogP25.82
TPSA702.39 Ų
H-Bond Donors14
H-Bond Acceptors41
Rotatable Bonds28
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002766.12
LogP ≤ 525.82
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1041

Analyze (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 with MolForge

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Related Compounds

N-(8-amino-6-(2-fluoro-6-methyl-4-(oxazol-2-yl)phenyl)-2,7-naphthyridin-3-yl)-2-methyl-3-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 139468745
(1S,2S,3S)-N-(8-amino-6-(2-fluoro-6-methyl-4-(oxazol-2-yl)phenyl)-2,7-naphthyridin-3-yl)-2-methyl-3-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344692
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
CID 135344804
(2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 139469051
trans-(1R,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 142447621
CID 158920048
CID 158920048
benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 160742727
benzyl 5-[1-amino-6-[[(1R,2R)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;benzyl 5-[1-amino-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-3-yl]-4-methylpyridine-2-carboxylate;trans-(1R,2R)-N-[8-amino-6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 161114894
cis-(1S,2S)-N-[8-amino-6-[2-fluoro-6-methyl-4-(1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-1-methyl-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 173823501
3-cyclopropyl-1-[3-(difluoromethyl)-2-(1,3-dimethylpyrazol-4-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-1-[3-(difluoromethyl)-2-(5-methyl-1H-1,2,4-triazol-2-ium-2-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;3-cyclopropyl-5,7-dimethyl-1-[3-(1,3-oxazol-2-yl)isoquinolin-8-yl]-5,8-dihydroimidazo[1,5-a]pyrazin-6-one;bis(1-[3-(difluoromethyl)-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-5-ethyl-7-methyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one)
CID 157094014
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(N)c1cc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4c4cnn(C)c4)ncc3c(N)n2)c(F)c1.C=C(N)c1cc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4c4cnn(C)c4)ncc3c(N)n2)c(F)c1.Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H]3[C@@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(-c2ncco2)cc(F)c1-c1cc2cc(NC(=O)[C@H]3[C@H](C)[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1ccc2c(c1-c1cc3cc(NC(=O)[C@H]4C[C@@H]4CC#N)ncc3c(N)n1)CCC2(C)C.Cc1cccc(F)c1-c1cc2cc(NC(=O)[C@@H]3[C@@H](C)[C@H]3c3cnn(C)c3)ncc2c(N)n1.
What is the InChIKey of (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?
The InChIKey is IUOLOVSDWDZGEK-PETRPVFDSA-N. The full InChI is InChI=1S/2C27H24FN7O2.C26H27N5O.2C25H24FN7O.C24H23FN6O/c2*1-13-6-16(27-30-4-5-37-27)7-19(28)22(13)20-8-15-9-21(31-11-18(15)25(29)33-20)34-26(36)24-14(2)23(24)17-10-32-35(3)12-17;1-14-4-5-20-17(6-8-26(20,2)3)23(14)21-11-16-12-22(29-13-19(16)24(28)30-21)31-25(32)18-10-15(18)7-9-27;2*1-12-4-14(13(2)27)5-20(26)23(12)21-6-15-7-22(29-10-19(15)24(28)31-21)32-25(34)18-8-17(18)16-9-30-33(3)11-16;1-12-5-4-6-17(25)20(12)18-7-14-8-19(27-10-16(14)23(26)29-18)30-24(32)22-13(2)21(22)15-9-28-31(3)11-15/h2*4-12,14,23-24H,1-3H3,(H2,29,33)(H,31,34,36);4-5,11-13,15,18H,6-8,10H2,1-3H3,(H2,28,30)(H,29,31,32);2*4-7,9-11,17-18H,2,8,27H2,1,3H3,(H2,28,31)(H,29,32,34);4-11,13,21-22H,1-3H3,(H2,26,29)(H,27,30,32)/t14-,23+,24-;14-,23-,24+;15-,18-;2*17-,18+;13-,21-,22+/m010100/s1.
What are the key properties of (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?
(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 has a molecular weight of 2766.12 g/mol, XLogP of 25.82, 28 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158810074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).