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

C120H94Cl5F4N29S5 — CID 158654319

IUPAC4-[[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
SMILESCN1CCC(CSc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1ccc(CSc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCc1cccnc1
InChIInChI=1S/C25H17ClN6S.C24H18ClF3N6S.C24H17ClFN5S.C24H25ClN6S.C23H17ClN6S/c26-20-11-18(10-19-13-29-32-21(19)20)23-22(17-4-2-1-3-5-17)30-24(28)25(31-23)33-14-16-8-6-15(12-27)7-9-16;25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28;25-19-11-16(10-17-12-28-31-20(17)19)22-21(15-4-2-1-3-5-15)29-23(27)24(30-22)32-13-14-6-8-18(26)9-7-14;1-31-9-7-15(8-10-31)14-32-24-23(26)28-21(16-5-3-2-4-6-16)22(29-24)17-11-18-13-27-30-20(18)19(25)12-17;24-18-10-16(9-17-12-27-30-19(17)18)21-20(15-6-2-1-3-7-15)28-22(25)23(29-21)31-13-14-5-4-8-26-11-14/h1-11,13H,14H2,(H2,28,30)(H,29,32);1-7,10-13H,8-9H2,(H2,29,31)(H,30,33);1-12H,13H2,(H2,27,29)(H,28,31);2-6,11-13,15H,7-10,14H2,1H3,(H2,26,28)(H,27,30);1-12H,13H2,(H2,25,28)(H,27,30)
InChIKeyIBYBRMJXUPQRGO-UHFFFAOYSA-N
MW2355.87 g/mol
LogP29.94
Rot. Bonds26

About 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

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 (PubChem CID 158654319) has the molecular formula C120H94Cl5F4N29S5 and a molecular weight of 2355.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID158654319
Molecular FormulaC120H94Cl5F4N29S5
Molecular Weight2355.87 g/mol
Exact Mass2351.52
IUPAC Name4-[[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
SMILESCN1CCC(CSc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1ccc(CSc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCc1cccnc1
InChIInChI=1S/C25H17ClN6S.C24H18ClF3N6S.C24H17ClFN5S.C24H25ClN6S.C23H17ClN6S/c26-20-11-18(10-19-13-29-32-21(19)20)23-22(17-4-2-1-3-5-17)30-24(28)25(31-23)33-14-16-8-6-15(12-27)7-9-16;25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28;25-19-11-16(10-17-12-28-31-20(17)19)22-21(15-4-2-1-3-5-15)29-23(27)24(30-22)32-13-14-6-8-18(26)9-7-14;1-31-9-7-15(8-10-31)14-32-24-23(26)28-21(16-5-3-2-4-6-16)22(29-24)17-11-18-13-27-30-20(18)19(25)12-17;24-18-10-16(9-17-12-27-30-19(17)18)21-20(15-6-2-1-3-7-15)28-22(25)23(29-21)31-13-14-5-4-8-26-11-14/h1-11,13H,14H2,(H2,28,30)(H,29,32);1-7,10-13H,8-9H2,(H2,29,31)(H,30,33);1-12H,13H2,(H2,27,29)(H,28,31);2-6,11-13,15H,7-10,14H2,1H3,(H2,26,28)(H,27,30);1-12H,13H2,(H2,25,28)(H,27,30)
InChIKeyIBYBRMJXUPQRGO-UHFFFAOYSA-N
XLogP29.94
TPSA447.25 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002355.87
LogP ≤ 529.94
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 159115619
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
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
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4,5-dimethylpyridazin-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5,6-dimethylpyridazin-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4,5-dimethylpyrimidin-2-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(6-methylpyrazin-2-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methylpyridazin-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-methyl-1H-indazol-5-yl)-5-(5-methylpyridazin-3-yl)pyrazine-2-carbonitrile
CID 157627443
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-methyl-1,2,4-triazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2-methyltriazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2,4-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile
CID 157929627
6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylimidazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrazol-4-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrol-3-yl)methylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(pyridin-3-ylmethylamino)pyrazine-2-carbonitrile
CID 158794715
5-(8-Chloroquinolin-6-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(1-methylpyrrolidin-3-yl)sulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylsulfanylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-pyridin-3-ylsulfanylpyrazin-2-amine
CID 158803881
bis(3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazine-2-carbonitrile);6-(7-chloro-1H-indazol-5-yl)-3-[2-(1-methylpyrrol-3-yl)ethylamino]-5-phenylpyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 158901549
5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(1-methylpyrazol-3-yl)-5-quinolin-6-ylpyrazin-2-amine;6-(2-methyl-1,3-thiazol-5-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 159218172
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,3-dimethylpyrazol-4-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,4-dimethylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,4-dimethylpyrrol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(4-methyl-1H-pyrrol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(5-methyl-1H-pyrrol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1,2,4-trimethylpyrrol-3-yl)pyrazine-2-carbonitrile
CID 159316850
5-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[2-(diethylamino)ethylsulfanyl]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrol-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-phenylsulfanylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-pyridin-3-ylsulfanylpyrazin-2-amine
CID 159844438
3-amino-6-(7-chloro-1H-indol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazine-2-carbonitrile;bis(3-bromo-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine);5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine
CID 159986188

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(CSc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1ccc(CSc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1SCc1cccnc1.
What is the InChIKey of 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?
The InChIKey is IBYBRMJXUPQRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN6S.C24H18ClF3N6S.C24H17ClFN5S.C24H25ClN6S.C23H17ClN6S/c26-20-11-18(10-19-13-29-32-21(19)20)23-22(17-4-2-1-3-5-17)30-24(28)25(31-23)33-14-16-8-6-15(12-27)7-9-16;25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28;25-19-11-16(10-17-12-28-31-20(17)19)22-21(15-4-2-1-3-5-15)29-23(27)24(30-22)32-13-14-6-8-18(26)9-7-14;1-31-9-7-15(8-10-31)14-32-24-23(26)28-21(16-5-3-2-4-6-16)22(29-24)17-11-18-13-27-30-20(18)19(25)12-17;24-18-10-16(9-17-12-27-30-19(17)18)21-20(15-6-2-1-3-7-15)28-22(25)23(29-21)31-13-14-5-4-8-26-11-14/h1-11,13H,14H2,(H2,28,30)(H,29,32);1-7,10-13H,8-9H2,(H2,29,31)(H,30,33);1-12H,13H2,(H2,27,29)(H,28,31);2-6,11-13,15H,7-10,14H2,1H3,(H2,26,28)(H,27,30);1-12H,13H2,(H2,25,28)(H,27,30).
What are the key properties of 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?
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 has a molecular weight of 2355.87 g/mol, XLogP of 29.94, 26 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158654319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).