5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine

C136H139Cl6N39 — CID 157396926

IUPAC5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine
SMILESCCN(CC)CCNc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CN1CCN(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCC1CCCC1
InChIInChI=1S/2C24H25ClN6.C23H26ClN7.C22H23ClN8.C22H21ClN6.C21H19ClN6/c25-19-12-17(11-18-14-28-31-20(18)19)22-21(16-9-5-2-6-10-16)29-23(26)24(30-22)27-13-15-7-3-1-4-8-15;25-19-13-17(12-18-14-28-31-20(18)19)22-21(16-8-2-1-3-9-16)29-23(26)24(30-22)27-11-10-15-6-4-5-7-15;1-3-31(4-2)11-10-26-23-22(25)28-20(15-8-6-5-7-9-15)21(29-23)16-12-17-14-27-30-19(17)18(24)13-16;1-30-7-8-31(13-30)12-25-22-21(24)27-19(14-5-3-2-4-6-14)20(28-22)15-9-16-11-26-29-18(16)17(23)10-15;23-17-10-15(9-16-12-26-29-18(16)17)20-19(14-7-2-1-3-8-14)27-21(24)22(28-20)25-11-13-5-4-6-13;22-16-9-14(8-15-11-25-28-17(15)16)19-18(13-4-2-1-3-5-13)26-20(23)21(27-19)24-10-12-6-7-12/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2,(H2,26,29)(H,27,30)(H,28,31);1-3,8-9,12-15H,4-7,10-11H2,(H2,26,29)(H,27,30)(H,28,31);5-9,12-14H,3-4,10-11H2,1-2H3,(H2,25,28)(H,26,29)(H,27,30);2-6,9-11H,7-8,12-13H2,1H3,(H2,24,27)(H,25,28)(H,26,29);1-3,7-10,12-13H,4-6,11H2,(H2,24,27)(H,25,28)(H,26,29);1-5,8-9,11-12H,6-7,10H2,(H2,23,26)(H,24,27)(H,25,28)
InChIKeyBMRIRWGZVJNHFN-UHFFFAOYSA-N
MW2532.60 g/mol
LogP29.88
Rot. Bonds34

About 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine

5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine (PubChem CID 157396926) has the molecular formula C136H139Cl6N39 and a molecular weight of 2532.60 g/mol. Its IUPAC name is 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine.

Molecular Properties

Compound Name5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine
PubChem CID157396926
Molecular FormulaC136H139Cl6N39
Molecular Weight2532.60 g/mol
Exact Mass2528.02
IUPAC Name5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine
SMILESCCN(CC)CCNc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CN1CCN(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCC1CCCC1
InChIInChI=1S/2C24H25ClN6.C23H26ClN7.C22H23ClN8.C22H21ClN6.C21H19ClN6/c25-19-12-17(11-18-14-28-31-20(18)19)22-21(16-9-5-2-6-10-16)29-23(26)24(30-22)27-13-15-7-3-1-4-8-15;25-19-13-17(12-18-14-28-31-20(18)19)22-21(16-8-2-1-3-9-16)29-23(26)24(30-22)27-11-10-15-6-4-5-7-15;1-3-31(4-2)11-10-26-23-22(25)28-20(15-8-6-5-7-9-15)21(29-23)16-12-17-14-27-30-19(17)18(24)13-16;1-30-7-8-31(13-30)12-25-22-21(24)27-19(14-5-3-2-4-6-14)20(28-22)15-9-16-11-26-29-18(16)17(23)10-15;23-17-10-15(9-16-12-26-29-18(16)17)20-19(14-7-2-1-3-8-14)27-21(24)22(28-20)25-11-13-5-4-6-13;22-16-9-14(8-15-11-25-28-17(15)16)19-18(13-4-2-1-3-5-13)26-20(23)21(27-19)24-10-12-6-7-12/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2,(H2,26,29)(H,27,30)(H,28,31);1-3,8-9,12-15H,4-7,10-11H2,(H2,26,29)(H,27,30)(H,28,31);5-9,12-14H,3-4,10-11H2,1-2H3,(H2,25,28)(H,26,29)(H,27,30);2-6,9-11H,7-8,12-13H2,1H3,(H2,24,27)(H,25,28)(H,26,29);1-3,7-10,12-13H,4-6,11H2,(H2,24,27)(H,25,28)(H,26,29);1-5,8-9,11-12H,6-7,10H2,(H2,23,26)(H,24,27)(H,25,28)
InChIKeyBMRIRWGZVJNHFN-UHFFFAOYSA-N
XLogP29.88
TPSA564.78 Ų
H-Bond Donors18
H-Bond Acceptors33
Rotatable Bonds34
Heavy Atoms181
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002532.60
LogP ≤ 529.88
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1033

Analyze 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine with MolForge

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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
5-(8-chloroquinolin-6-yl)-3-N-[(4-methylpiperazin-1-yl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 160202825
3-chloro-5-methyl-2H-indazole;7-chloro-5-methyl-1H-indazole;6,8-dimethylquinoline;2,4-dimethyl-6-(trifluoromethyl)pyridine;6-methylcinnoline;6-methylimidazo[1,2-a]pyridine;5-methyl-1H-indazole;6-methylisoquinoline;6-methylquinazolin-2-amine;6-methylquinazoline;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 161222129
5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine
CID 137430861
5-[3-[3-[6-amino-3-(7-chloro-1H-indazol-5-yl)-5-[(E)-prop-1-enyl]pyrazin-2-yl]phenyl]-7-chloro-1H-indazol-5-yl]-3-ethenyl-6-phenylpyrazin-2-amine
CID 156450015
6-(7-chloro-1H-indazol-5-yl)-3-(cyclobutylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-(oxan-4-ylamino)pyrazine-2-carbonitrile;6-(4-chloronaphthalen-2-yl)-3-(cyclopropylamino)-5-phenylpyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(oxan-4-ylamino)pyrazine-2-carbonitrile
CID 157221319
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-[2-(diethylamino)ethyl]urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(4-methylphenyl)urea;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-3-(6-methyl-3-pyridinyl)urea;N-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]-1-methylpyrrole-3-carboxamide
CID 157312784
3-But-2-ynyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclobutyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-naphthalen-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-phenylpyrazin-2-amine
CID 157325849
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(2H-triazol-4-yl)pyrazine-2-carbonitrile;3-amino-5-(1,4-dimethylpyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-6-(7-fluoro-1H-indazol-5-yl)-5-(1H-1,2,4-triazol-5-yl)pyrazine-2-carbonitrile;3-amino-5-(4-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile;3-amino-5-(5-methyl-1H-pyrrol-3-yl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 157392492
1-[2-[[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]amino]ethyl]piperidin-4-ol;3-N-[2-(azetidin-1-yl)ethyl]-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclobutylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(cyclohexylmethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-3-N-(2-cyclopentylethyl)-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
CID 157504615
1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(cyclohexylmethyl)urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopropylurea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-(1-methylpiperidin-4-yl)urea
CID 157542824
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

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine?
The IUPAC name of 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine (CID 157396926) is 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine.
What is the SMILES notation for 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine?
The canonical SMILES for 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine is CCN(CC)CCNc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1N.CN1CCN(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)C1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCC1CCCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCC1CCCC1.
What is the InChIKey of 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine?
The InChIKey is BMRIRWGZVJNHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H25ClN6.C23H26ClN7.C22H23ClN8.C22H21ClN6.C21H19ClN6/c25-19-12-17(11-18-14-28-31-20(18)19)22-21(16-9-5-2-6-10-16)29-23(26)24(30-22)27-13-15-7-3-1-4-8-15;25-19-13-17(12-18-14-28-31-20(18)19)22-21(16-8-2-1-3-9-16)29-23(26)24(30-22)27-11-10-15-6-4-5-7-15;1-3-31(4-2)11-10-26-23-22(25)28-20(15-8-6-5-7-9-15)21(29-23)16-12-17-14-27-30-19(17)18(24)13-16;1-30-7-8-31(13-30)12-25-22-21(24)27-19(14-5-3-2-4-6-14)20(28-22)15-9-16-11-26-29-18(16)17(23)10-15;23-17-10-15(9-16-12-26-29-18(16)17)20-19(14-7-2-1-3-8-14)27-21(24)22(28-20)25-11-13-5-4-6-13;22-16-9-14(8-15-11-25-28-17(15)16)19-18(13-4-2-1-3-5-13)26-20(23)21(27-19)24-10-12-6-7-12/h2,5-6,9-12,14-15H,1,3-4,7-8,13H2,(H2,26,29)(H,27,30)(H,28,31);1-3,8-9,12-15H,4-7,10-11H2,(H2,26,29)(H,27,30)(H,28,31);5-9,12-14H,3-4,10-11H2,1-2H3,(H2,25,28)(H,26,29)(H,27,30);2-6,9-11H,7-8,12-13H2,1H3,(H2,24,27)(H,25,28)(H,26,29);1-3,7-10,12-13H,4-6,11H2,(H2,24,27)(H,25,28)(H,26,29);1-5,8-9,11-12H,6-7,10H2,(H2,23,26)(H,24,27)(H,25,28).
What are the key properties of 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine?
5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine has a molecular weight of 2532.60 g/mol, XLogP of 29.88, 34 rotatable bonds, 18 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclobutylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclohexylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(2-cyclopentylethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-(cyclopropylmethyl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[2-(diethylamino)ethyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(3-methylimidazolidin-1-yl)methyl]-6-phenylpyrazine-2,3-diamine is sourced from PubChem (CID 157396926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).