5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine

C116H91Cl5F5N35S2 — CID 160771730

IUPAC5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine
SMILESCc1ccn(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncsc3c2)n1
InChIInChI=1S/2C24H19ClFN7.C24H18ClFN6S.C22H18ClFN8.C22H17ClFN7S/c1-33-10-8-19(32-33)22-21(16-11-15-3-2-9-28-20(15)18(25)12-16)31-24(23(27)30-22)29-13-14-4-6-17(26)7-5-14;1-14-8-10-33(32-14)24-21(17-11-16-3-2-9-28-20(16)19(25)12-17)30-23(22(27)31-24)29-13-15-4-6-18(26)7-5-15;1-13-29-12-19(33-13)22-21(16-9-15-3-2-8-28-20(15)18(25)10-16)32-24(23(27)31-22)30-11-14-4-6-17(26)7-5-14;1-32-7-6-17(31-32)20-19(13-8-14-11-27-30-18(14)16(23)9-13)29-22(21(25)28-20)26-10-12-2-4-15(24)5-3-12;1-31-7-6-16(30-31)20-18(13-8-15(23)19-17(9-13)32-11-27-19)29-22(21(25)28-20)26-10-12-2-4-14(24)5-3-12/h2-12H,13H2,1H3,(H2,27,30)(H,29,31);2-12H,13H2,1H3,(H2,27,31)(H,29,30);2-10,12H,11H2,1H3,(H2,27,31)(H,30,32);2-9,11H,10H2,1H3,(H2,25,28)(H,26,29)(H,27,30);2-9,11H,10H2,1H3,(H2,25,28)(H,26,29)
InChIKeyRZKDWUVKXSTQKR-UHFFFAOYSA-N
MW2311.64 g/mol
LogP25.91
Rot. Bonds25

About 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine

5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine (PubChem CID 160771730) has the molecular formula C116H91Cl5F5N35S2 and a molecular weight of 2311.64 g/mol. Its IUPAC name is 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine
PubChem CID160771730
Molecular FormulaC116H91Cl5F5N35S2
Molecular Weight2311.64 g/mol
Exact Mass2307.60
IUPAC Name5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine
SMILESCc1ccn(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncsc3c2)n1
InChIInChI=1S/2C24H19ClFN7.C24H18ClFN6S.C22H18ClFN8.C22H17ClFN7S/c1-33-10-8-19(32-33)22-21(16-11-15-3-2-9-28-20(15)18(25)12-16)31-24(23(27)30-22)29-13-14-4-6-17(26)7-5-14;1-14-8-10-33(32-14)24-21(17-11-16-3-2-9-28-20(16)19(25)12-17)30-23(22(27)31-24)29-13-15-4-6-18(26)7-5-15;1-13-29-12-19(33-13)22-21(16-9-15-3-2-8-28-20(15)18(25)10-16)32-24(23(27)31-22)30-11-14-4-6-17(26)7-5-14;1-32-7-6-17(31-32)20-19(13-8-14-11-27-30-18(14)16(23)9-13)29-22(21(25)28-20)26-10-12-2-4-15(24)5-3-12;1-31-7-6-16(30-31)20-18(13-8-15(23)19-17(9-13)32-11-27-19)29-22(21(25)28-20)26-10-12-2-4-14(24)5-3-12/h2-12H,13H2,1H3,(H2,27,30)(H,29,31);2-12H,13H2,1H3,(H2,27,31)(H,29,30);2-10,12H,11H2,1H3,(H2,27,31)(H,30,32);2-9,11H,10H2,1H3,(H2,25,28)(H,26,29)(H,27,30);2-9,11H,10H2,1H3,(H2,25,28)(H,26,29)
InChIKeyRZKDWUVKXSTQKR-UHFFFAOYSA-N
XLogP25.91
TPSA483.56 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds25
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002311.64
LogP ≤ 525.91
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine with MolForge

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Related Compounds

6-[1-[[6-[5-Amino-3-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]-8-chloroquinolin-3-yl]methyl]pyrazol-3-yl]-5-(4-chloro-1,3-benzothiazol-6-yl)pyrazin-2-amine
CID 156450002
4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]sulfanylmethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 158654319
4-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]sulfanylmethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methylsulfanyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethylsulfanyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethylsulfanyl]pyrazin-2-amine
CID 159393245
8-chloro-6-methylimidazo[1,2-a]pyridine;7-chloro-5-methyl-1H-indazole;8-chloro-6-methylquinoline;3,5-dimethyl-2H-indazole;6,8-dimethylquinoline;2,4-dimethyl-6-(trifluoromethyl)pyridine;6-methyl-1,3-benzothiazole;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-1H-indazole;6-methylisoquinoline;6-methylquinolin-2-amine;bis(6-methylquinoline);6-methylquinoxaline;6-methyl-1,2,3,4-tetrahydroquinoline;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[4,3-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine;tris(2,4,6-trimethylpyridine)
CID 161014562
5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile
CID 157050454
3-Amino-6-(8-chloro-4,5-dimethylquinolin-6-yl)-5-(4-fluorophenyl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-2,4-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;bis(3-amino-6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile);3-amino-6-(8-fluoroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide
CID 157183245
4-Fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine
CID 157373145
3-chloro-6-methylpyridazine;5-chloro-2-methylpyrimidine;2,6-dimethyl-1-benzothiophene;2,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;2,6-dimethylquinoline;2,5-dimethylthiophene;6-fluoro-2-methyl-1-benzothiophene;3-fluoro-6-methyl-1H-indole;5-fluoro-2-methylpyridine;5-fluoro-2-methylpyrimidine;2-fluoro-6-methylquinoline;6-fluoro-2-methylthieno[2,3-b]pyridine;6-methylisoquinolin-4-amine;7-methylisoquinolin-4-amine;6-methylisoquinoline-1,3-diamine;7-methylisoquinoline-1,3-diamine;6-methylquinolin-2-amine
CID 157461234
6-[5-Amino-3-(4-fluorophenyl)pyrazin-2-yl]-4-chloro-1,3-benzothiazol-2-amine;3-amino-5-(3-methylpyrrol-1-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;5-(4-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(4-chloro-2-propan-2-yl-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;6-(3-methylpyrrol-1-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 157543386
N-[(2-chlorophenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[(3-chlorophenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[(3-fluorophenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-[(4-fluorophenyl)methyl]-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(4-fluorophenyl)-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-4-[(3-methylphenyl)methyl]-2H-pyrazolo[4,3-c]pyridine;3-methyl-N-(2-methylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;3-methyl-N-(4-methylphenyl)-2H-pyrazolo[4,3-c]pyridin-4-amine;N-(3-methyl-2H-pyrazolo[4,3-c]pyridin-4-yl)-1,3-benzothiazol-6-amine;3-methyl-N-(pyridin-2-ylmethyl)-2H-pyrazolo[4,3-c]pyridin-4-amine
CID 157591965
4-chloro-6-(7-fluoro-2-methylindazol-5-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;5-[4-chloro-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazol-6-yl]-2-methylindazole-7-carbonitrile;N-(2,2-dimethylpiperidin-4-yl)-N-methyl-6-(2-methylindazol-5-yl)-1,3-benzothiazol-2-amine
CID 157788540
6-[2-(3-Chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;6-[2-(3-chlorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;3-isocyano-6-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]quinoline
CID 157905176

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine?
The IUPAC name of 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine (CID 160771730) is 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine.
What is the SMILES notation for 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine?
The canonical SMILES for 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine is Cc1ccn(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncsc3c2)n1.
What is the InChIKey of 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine?
The InChIKey is RZKDWUVKXSTQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H19ClFN7.C24H18ClFN6S.C22H18ClFN8.C22H17ClFN7S/c1-33-10-8-19(32-33)22-21(16-11-15-3-2-9-28-20(15)18(25)12-16)31-24(23(27)30-22)29-13-14-4-6-17(26)7-5-14;1-14-8-10-33(32-14)24-21(17-11-16-3-2-9-28-20(16)19(25)12-17)30-23(22(27)31-24)29-13-15-4-6-18(26)7-5-15;1-13-29-12-19(33-13)22-21(16-9-15-3-2-8-28-20(15)18(25)10-16)32-24(23(27)31-22)30-11-14-4-6-17(26)7-5-14;1-32-7-6-17(31-32)20-19(13-8-14-11-27-30-18(14)16(23)9-13)29-22(21(25)28-20)26-10-12-2-4-15(24)5-3-12;1-31-7-6-16(30-31)20-18(13-8-15(23)19-17(9-13)32-11-27-19)29-22(21(25)28-20)26-10-12-2-4-14(24)5-3-12/h2-12H,13H2,1H3,(H2,27,30)(H,29,31);2-12H,13H2,1H3,(H2,27,31)(H,29,30);2-10,12H,11H2,1H3,(H2,27,31)(H,30,32);2-9,11H,10H2,1H3,(H2,25,28)(H,26,29)(H,27,30);2-9,11H,10H2,1H3,(H2,25,28)(H,26,29).
What are the key properties of 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine?
5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine has a molecular weight of 2311.64 g/mol, XLogP of 25.91, 25 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-benzothiazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(3-methylpyrazol-1-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 160771730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).