2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide

C103H83Cl2F5N20O5 — CID 159890704

IUPAC2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide
SMILESCc1cc(-c2ncccc2-c2ccc(/C=N/CC(N)=O)c(N)c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nn(CC(N)=O)cc3c2)ccc1F.NC(=O)Cn1cc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2n1.NC(=O)Cn1ncc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.[H]/N=C/c1ccc(-c2cccnc2-c2ccc(F)c(C)c2)cc1NCC(N)=O
InChIInChI=1S/C21H17FN4O.2C21H19FN4O.2C20H14ClFN4O/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-26(25-19)12-20(23)27;1-13-9-15(6-7-18(13)22)21-17(3-2-8-26-21)14-4-5-16(19(23)10-14)11-25-12-20(24)27;1-13-9-15(6-7-18(13)22)21-17(3-2-8-25-21)14-4-5-16(11-23)19(10-14)26-12-20(24)27;21-16-8-13(5-6-17(16)22)20-15(2-1-7-24-20)12-3-4-14-10-26(11-19(23)27)25-18(14)9-12;21-16-8-13(5-6-17(16)22)20-15(2-1-7-24-20)12-3-4-14-10-25-26(11-19(23)27)18(14)9-12/h2-11H,12H2,1H3,(H2,23,27);2-11H,12,23H2,1H3,(H2,24,27);2-11,23,26H,12H2,1H3,(H2,24,27);2*1-10H,11H2,(H2,23,27)/b;25-11+;23-11+;;
InChIKeyKNJSKBYWRCGGCY-YTIJLIBHSA-N
MW1846.83 g/mol
LogP18.89
Rot. Bonds23

About 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide

2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide (PubChem CID 159890704) has the molecular formula C103H83Cl2F5N20O5 and a molecular weight of 1846.83 g/mol. Its IUPAC name is 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide.

Molecular Properties

Compound Name2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide
PubChem CID159890704
Molecular FormulaC103H83Cl2F5N20O5
Molecular Weight1846.83 g/mol
Exact Mass1844.62
IUPAC Name2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide
SMILESCc1cc(-c2ncccc2-c2ccc(/C=N/CC(N)=O)c(N)c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nn(CC(N)=O)cc3c2)ccc1F.NC(=O)Cn1cc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2n1.NC(=O)Cn1ncc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.[H]/N=C/c1ccc(-c2cccnc2-c2ccc(F)c(C)c2)cc1NCC(N)=O
InChIInChI=1S/C21H17FN4O.2C21H19FN4O.2C20H14ClFN4O/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-26(25-19)12-20(23)27;1-13-9-15(6-7-18(13)22)21-17(3-2-8-26-21)14-4-5-16(19(23)10-14)11-25-12-20(24)27;1-13-9-15(6-7-18(13)22)21-17(3-2-8-25-21)14-4-5-16(11-23)19(10-14)26-12-20(24)27;21-16-8-13(5-6-17(16)22)20-15(2-1-7-24-20)12-3-4-14-10-26(11-19(23)27)25-18(14)9-12;21-16-8-13(5-6-17(16)22)20-15(2-1-7-24-20)12-3-4-14-10-25-26(11-19(23)27)18(14)9-12/h2-11H,12H2,1H3,(H2,23,27);2-11H,12,23H2,1H3,(H2,24,27);2-11,23,26H,12H2,1H3,(H2,24,27);2*1-10H,11H2,(H2,23,27)/b;25-11+;23-11+;;
InChIKeyKNJSKBYWRCGGCY-YTIJLIBHSA-N
XLogP18.89
TPSA407.62 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.83
LogP ≤ 518.89
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide with MolForge

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Related Compounds

2-[5-[2-(4-Fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]-3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]butanediamide
CID 117868871
tert-butyl N-methyl-N-[2-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-3-yl]pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[6-(5-chloro-2-fluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine;N-[2-[2-(5-chloro-2-fluorophenyl)ethynyl]-3-pyridinyl]-2,2,2-trifluoroacetamide;methane
CID 157353486
4-(5-chloro-2-pyridinyl)-1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)pyridin-2-one;4-(5-chloro-2-pyridinyl)-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one;1-(2,9-dimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one;1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 157690367
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5,6-dimethylindazol-2-yl)pentan-2-one;3-[2-[(1S)-1-[[2-[6-(aminomethyl)-1H-indol-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 161818785
tert-butyl N-methyl-N-[2-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-3-yl]pyrazol-1-yl]ethyl]carbamate;2-[4-[6-[6-(5-chloro-2-fluorophenyl)-5H-cyclopenta[b]pyridin-7-yl]quinolin-3-yl]pyrazol-1-yl]-N-methylethanamine;N-[2-[2-(5-chloro-2-fluorophenyl)ethynyl]-3-pyridinyl]-2,2,2-trifluoroacetamide
CID 162230546
2-[5-[2-(4-Fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
CID 117868870
3-[5-[[4-[[2-[1-[3-[3-[4-(2-Aminoethyl)phenyl]-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]indol-1-yl]propylamino]ethyl]-6-chlorophenyl]methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-3-yl)indol-1-yl]propan-1-amine
CID 145323644
N-benzyl-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide;N-[(4-chlorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide;N-[(4-fluorophenyl)methyl]-2-(3-pyridin-2-yl-4-quinolin-4-ylpyrazol-1-yl)acetamide
CID 156405826
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide
CID 157167414
6-[2-(5-Chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-1-yl]acetamide;6-[2-(2-fluoro-5-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157240693
2-bromoacetamide;6-(2-chloro-3-pyridinyl)-1H-indazole;2-[6-(2-chloro-3-pyridinyl)indazol-1-yl]acetamide;2-[6-(2-chloro-3-pyridinyl)indazol-2-yl]acetamide;methane
CID 157834510
2-[[2-Amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine
CID 157874397

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide?
The IUPAC name of 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide (CID 159890704) is 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide.
What is the SMILES notation for 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide?
The canonical SMILES for 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide is Cc1cc(-c2ncccc2-c2ccc(/C=N/CC(N)=O)c(N)c2)ccc1F.Cc1cc(-c2ncccc2-c2ccc3nn(CC(N)=O)cc3c2)ccc1F.NC(=O)Cn1cc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2n1.NC(=O)Cn1ncc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc21.[H]/N=C/c1ccc(-c2cccnc2-c2ccc(F)c(C)c2)cc1NCC(N)=O.
What is the InChIKey of 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide?
The InChIKey is KNJSKBYWRCGGCY-YTIJLIBHSA-N. The full InChI is InChI=1S/C21H17FN4O.2C21H19FN4O.2C20H14ClFN4O/c1-13-9-15(4-6-18(13)22)21-17(3-2-8-24-21)14-5-7-19-16(10-14)11-26(25-19)12-20(23)27;1-13-9-15(6-7-18(13)22)21-17(3-2-8-26-21)14-4-5-16(19(23)10-14)11-25-12-20(24)27;1-13-9-15(6-7-18(13)22)21-17(3-2-8-25-21)14-4-5-16(11-23)19(10-14)26-12-20(24)27;21-16-8-13(5-6-17(16)22)20-15(2-1-7-24-20)12-3-4-14-10-26(11-19(23)27)25-18(14)9-12;21-16-8-13(5-6-17(16)22)20-15(2-1-7-24-20)12-3-4-14-10-25-26(11-19(23)27)18(14)9-12/h2-11H,12H2,1H3,(H2,23,27);2-11H,12,23H2,1H3,(H2,24,27);2-11,23,26H,12H2,1H3,(H2,24,27);2*1-10H,11H2,(H2,23,27)/b;25-11+;23-11+;;.
What are the key properties of 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide?
2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide has a molecular weight of 1846.83 g/mol, XLogP of 18.89, 23 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-1-yl]acetamide;2-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]acetamide;2-[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylanilino]acetamide is sourced from PubChem (CID 159890704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).