N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide

C98H87Cl2F8N21O7 — CID 158683124

IUPACN-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESCc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cc(F)cc(CF)c4)c(F)c3)c2)cnn1C.Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccc(F)c(Cl)c4)c(F)c3)c2)cn1.Cn1cncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(F)c3)c(F)c2)c1.Cn1nccc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CN)c3cccc(Cl)c3)c(F)c2)c1
InChIInChI=1S/C26H24F3N5O2.C24H20ClF2N5O2.C24H22ClFN6O.C24H21F2N5O2/c1-14-22(12-32-34(14)2)18-8-21(25(30)31-11-18)16-3-4-20(23(29)9-16)26(36)33-24(13-35)17-5-15(10-27)6-19(28)7-17;1-32-11-16(10-30-32)15-6-18(23(28)29-9-15)13-2-4-17(21(27)8-13)24(34)31-22(12-33)14-3-5-20(26)19(25)7-14;1-32-22(7-8-30-32)16-10-19(23(28)29-13-16)14-5-6-18(20(26)11-14)24(33)31-21(12-27)15-3-2-4-17(25)9-15;1-31-13-28-11-22(31)16-8-19(23(27)29-10-16)14-5-6-18(20(26)9-14)24(33)30-21(12-32)15-3-2-4-17(25)7-15/h3-9,11-12,24,35H,10,13H2,1-2H3,(H2,30,31)(H,33,36);2-11,22,33H,12H2,1H3,(H2,28,29)(H,31,34);2-11,13,21H,12,27H2,1H3,(H2,28,29)(H,31,33);2-11,13,21,32H,12H2,1H3,(H2,27,29)(H,30,33)/t24-;22-;2*21-/m1111/s1
InChIKeyIFJWCPIZQIVJGN-CJYHNQRJSA-N
MW1893.80 g/mol
LogP15.80
Rot. Bonds25

About N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide

N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (PubChem CID 158683124) has the molecular formula C98H87Cl2F8N21O7 and a molecular weight of 1893.80 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
PubChem CID158683124
Molecular FormulaC98H87Cl2F8N21O7
Molecular Weight1893.80 g/mol
Exact Mass1891.63
IUPAC NameN-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
SMILESCc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cc(F)cc(CF)c4)c(F)c3)c2)cnn1C.Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccc(F)c(Cl)c4)c(F)c3)c2)cn1.Cn1cncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(F)c3)c(F)c2)c1.Cn1nccc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CN)c3cccc(Cl)c3)c(F)c2)c1
InChIInChI=1S/C26H24F3N5O2.C24H20ClF2N5O2.C24H22ClFN6O.C24H21F2N5O2/c1-14-22(12-32-34(14)2)18-8-21(25(30)31-11-18)16-3-4-20(23(29)9-16)26(36)33-24(13-35)17-5-15(10-27)6-19(28)7-17;1-32-11-16(10-30-32)15-6-18(23(28)29-9-15)13-2-4-17(21(27)8-13)24(34)31-22(12-33)14-3-5-20(26)19(25)7-14;1-32-22(7-8-30-32)16-10-19(23(28)29-13-16)14-5-6-18(20(26)11-14)24(33)31-21(12-27)15-3-2-4-17(25)9-15;1-31-13-28-11-22(31)16-8-19(23(27)29-10-16)14-5-6-18(20(26)9-14)24(33)30-21(12-32)15-3-2-4-17(25)7-15/h3-9,11-12,24,35H,10,13H2,1-2H3,(H2,30,31)(H,33,36);2-11,22,33H,12H2,1H3,(H2,28,29)(H,31,34);2-11,13,21H,12,27H2,1H3,(H2,28,29)(H,31,33);2-11,13,21,32H,12H2,1H3,(H2,27,29)(H,30,33)/t24-;22-;2*21-/m1111/s1
InChIKeyIFJWCPIZQIVJGN-CJYHNQRJSA-N
XLogP15.80
TPSA430.03 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001893.80
LogP ≤ 515.80
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Analyze N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide with MolForge

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Launch Full Analysis

Related Compounds

bis[(1S)-1-[5-[4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] carbonate
CID 121268214
bis[(1R)-1-[5-[4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] carbonate
CID 121268219
1-[1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[1-[[6-[1-[1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]-2-[[1-[[6-[1-[1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-2-oxo-4-pyridinyl]-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]methyl]pyrazol-4-yl]amino]pyrimidin-4-yl]methyl]-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]pyridin-2-one
CID 123637974
N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-chloro-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-2,6-difluorobenzamide;N-[5-amino-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-3-pyridinyl]-4-methylbenzamide;N-[6-amino-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-3-methylbenzamide;N-[6-amino-5-(2,3,5-trimethyltriazol-3-ium-4-yl)-2-pyridinyl]-4-methylbenzamide;N-[6-formamido-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]-4-methylbenzamide;4-methyl-N-[6-(methylamino)-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 158019494
(2S)-2-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2R)-2-(3-chlorophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide;(2S)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2R)-N-[5-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetamide;(2S)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methyltriazol-1-yl)-2-pyridinyl]-2-phenylacetamide;(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(4-methyltriazol-1-yl)-2-pyridinyl]-2-phenylacetamide
CID 158377412
(9R,13S)-13-[4-(6-acetyl-3-chloro-2-fluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-3,9-dimethyl-3,4,7-triazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-(3-chloro-2,6-difluorophenyl)-6-oxo-2,3-dihydropyridin-1-yl]-3-ethyl-9-methyl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2(6),4,14,16-pentaen-8-one;(9R,13S)-13-[4-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-6-oxo-2,3-dihydropyridin-1-yl]-9-methyl-4-pyrimidin-5-yl-3,4,7,15-tetrazatricyclo[12.3.1.02,6]octadeca-1(18),2,5,14,16-pentaen-8-one
CID 159873308
8-[(3-chlorophenyl)methyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;8-[(3-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]-1-[4-(trifluoromethyl)pyrimidin-2-yl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;1-cyclohexyl-8-[(3-fluorophenyl)methyl]-N-[(1R)-1-phenylethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 160930098
3-(6-chloro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-N,3-N-dimethyl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;1-N-ethyl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide;3-fluoro-4-phenyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(morpholine-4-carbonyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-N-propan-2-yl-1-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
CID 161222392
4-(4-anilino-1,3,5-triazin-2-yl)-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[4-[(4,4,4-trifluoro-1-hydroxybutan-2-yl)amino]-1,3,5-triazin-2-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-4-[4-(3,3,3-trifluoropropylamino)-1,3,5-triazin-2-yl]-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide;N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
CID 161523635
1-[2-[4-[1-[3-[3-chloro-5-fluoro-4-[1-[(1-methylpyrazol-4-yl)amino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]phenyl]-5-(morpholine-4-carbonyl)anilino]-8-oxo-7H-imidazo[1,5-a]pyrazin-3-yl]-3,5-difluorophenyl]-4-(2-hydroxy-2-morpholin-4-ylethyl)anilino]-3-(2,6-difluorophenyl)-7H-imidazo[1,5-a]pyrazin-8-one
CID 167130699
1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[[(2S)-1-(methylamino)propan-2-yl]amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(3-methylimidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(5-methyl-1H-imidazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one;1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]pyridin-2-one
CID 157088138
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;5,5-dimethyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-(oxan-4-ylamino)-7H-pyrrolo[3,4-d]pyrimidine-6-carboxamide;N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(1S)-2-hydroxy-1-phenylethyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide;N-[(4-methylphenyl)methyl]-2-(oxan-4-ylamino)spiro[7H-pyrrolo[3,4-d]pyrimidine-5,1'-cyclobutane]-6-carboxamide
CID 157138223

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The IUPAC name of N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide (CID 158683124) is N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The canonical SMILES for N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4cc(F)cc(CF)c4)c(F)c3)c2)cnn1C.Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccc(F)c(Cl)c4)c(F)c3)c2)cn1.Cn1cncc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(F)c3)c(F)c2)c1.Cn1nccc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CN)c3cccc(Cl)c3)c(F)c2)c1.
What is the InChIKey of N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
The InChIKey is IFJWCPIZQIVJGN-CJYHNQRJSA-N. The full InChI is InChI=1S/C26H24F3N5O2.C24H20ClF2N5O2.C24H22ClFN6O.C24H21F2N5O2/c1-14-22(12-32-34(14)2)18-8-21(25(30)31-11-18)16-3-4-20(23(29)9-16)26(36)33-24(13-35)17-5-15(10-27)6-19(28)7-17;1-32-11-16(10-30-32)15-6-18(23(28)29-9-15)13-2-4-17(21(27)8-13)24(34)31-22(12-33)14-3-5-20(26)19(25)7-14;1-32-22(7-8-30-32)16-10-19(23(28)29-13-16)14-5-6-18(20(26)11-14)24(33)31-21(12-27)15-3-2-4-17(25)9-15;1-31-13-28-11-22(31)16-8-19(23(27)29-10-16)14-5-6-18(20(26)9-14)24(33)30-21(12-32)15-3-2-4-17(25)7-15/h3-9,11-12,24,35H,10,13H2,1-2H3,(H2,30,31)(H,33,36);2-11,22,33H,12H2,1H3,(H2,28,29)(H,31,34);2-11,13,21H,12,27H2,1H3,(H2,28,29)(H,31,33);2-11,13,21,32H,12H2,1H3,(H2,27,29)(H,30,33)/t24-;22-;2*21-/m1111/s1.
What are the key properties of N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide?
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide has a molecular weight of 1893.80 g/mol, XLogP of 15.80, 25 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide;4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide;4-[2-amino-5-(3-methylimidazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]benzamide;4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-1-(3-chloro-4-fluorophenyl)-2-hydroxyethyl]-2-fluorobenzamide is sourced from PubChem (CID 158683124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).