1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine

C116H127Cl5N34OS3 — CID 159248081

IUPAC1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
SMILESCCN(CC)CCCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N.CCN(CC)CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2cnc(C)s2)nc1N.CCN(CC)CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-n2ccc(C)n2)nc1N.CCN(CC)CCCc1nc(-c2cc(Cl)c3ncsc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3ncsc3c2)n1
InChIInChI=1S/C24H28ClN7.C24H19ClN6OS.C24H27ClN6S.C22H27ClN8.C22H26ClN7S/c1-4-31(5-2)12-7-9-20-23(26)29-24(32-13-10-16(3)30-32)22(28-20)18-14-17-8-6-11-27-21(17)19(25)15-18;1-31-8-7-18(30-31)23-21(15-10-17(25)22-20(11-15)33-13-27-22)28-19(24(26)29-23)12-16(32)9-14-5-3-2-4-6-14;1-4-31(5-2)11-7-9-19-24(26)30-23(20-14-28-15(3)32-20)22(29-19)17-12-16-8-6-10-27-21(16)18(25)13-17;1-4-31(5-2)9-6-7-18-22(24)27-21(17-8-10-30(3)29-17)20(26-18)14-11-15-13-25-28-19(15)16(23)12-14;1-4-30(5-2)9-6-7-17-22(24)27-21(16-8-10-29(3)28-16)19(26-17)14-11-15(23)20-18(12-14)31-13-25-20/h6,8,10-11,13-15H,4-5,7,9,12H2,1-3H3,(H2,26,29);2-8,10-11,13H,9,12H2,1H3,(H2,26,29);6,8,10,12-14H,4-5,7,9,11H2,1-3H3,(H2,26,30);8,10-13H,4-7,9H2,1-3H3,(H2,24,27)(H,25,28);8,10-13H,4-7,9H2,1-3H3,(H2,24,27)
InChIKeyKUXWLFNSWFSELH-UHFFFAOYSA-N
MW2286.99 g/mol
LogP23.67
Rot. Bonds38

About 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine

1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine (PubChem CID 159248081) has the molecular formula C116H127Cl5N34OS3 and a molecular weight of 2286.99 g/mol. Its IUPAC name is 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine.

Molecular Properties

Compound Name1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
PubChem CID159248081
Molecular FormulaC116H127Cl5N34OS3
Molecular Weight2286.99 g/mol
Exact Mass2282.85
IUPAC Name1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
SMILESCCN(CC)CCCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N.CCN(CC)CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2cnc(C)s2)nc1N.CCN(CC)CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-n2ccc(C)n2)nc1N.CCN(CC)CCCc1nc(-c2cc(Cl)c3ncsc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3ncsc3c2)n1
InChIInChI=1S/C24H28ClN7.C24H19ClN6OS.C24H27ClN6S.C22H27ClN8.C22H26ClN7S/c1-4-31(5-2)12-7-9-20-23(26)29-24(32-13-10-16(3)30-32)22(28-20)18-14-17-8-6-11-27-21(17)19(25)15-18;1-31-8-7-18(30-31)23-21(15-10-17(25)22-20(11-15)33-13-27-22)28-19(24(26)29-23)12-16(32)9-14-5-3-2-4-6-14;1-4-31(5-2)11-7-9-19-24(26)30-23(20-14-28-15(3)32-20)22(29-19)17-12-16-8-6-10-27-21(16)18(25)13-17;1-4-31(5-2)9-6-7-18-22(24)27-21(17-8-10-30(3)29-17)20(26-18)14-11-15-13-25-28-19(15)16(23)12-14;1-4-30(5-2)9-6-7-17-22(24)27-21(16-8-10-29(3)28-16)19(26-17)14-11-15(23)20-18(12-14)31-13-25-20/h6,8,10-11,13-15H,4-5,7,9,12H2,1-3H3,(H2,26,29);2-8,10-11,13H,9,12H2,1H3,(H2,26,29);6,8,10,12-14H,4-5,7,9,11H2,1-3H3,(H2,26,30);8,10-13H,4-7,9H2,1-3H3,(H2,24,27)(H,25,28);8,10-13H,4-7,9H2,1-3H3,(H2,24,27)
InChIKeyKUXWLFNSWFSELH-UHFFFAOYSA-N
XLogP23.67
TPSA453.44 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds38
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002286.99
LogP ≤ 523.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Analyze 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine with MolForge

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Related Compounds

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
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-(4-chloro-1,3-benzothiazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide
CID 157973126
3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
CID 158607587
6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one
CID 158989441
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
8-(1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(3-chloro-2H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;8-(7-chloro-1H-indazol-5-yl)-7-(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-amine;5-(2-chloro-6-methyl-4-pyridinyl)-6-(4-fluorophenyl)-1,7-naphthyridin-8-amine;8-(2-chloro-6-methyl-4-pyridinyl)-7-(4-fluorophenyl)pyrido[4,3-d]pyrimidin-5-amine
CID 159407872
6-(4-chloro-2-methyl-1,3-benzothiazol-6-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one;bis(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-(4-fluorophenyl)-1H-1,8-naphthyridin-4-one);tris(6-(7-chloro-3-methyl-2H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-4-one)
CID 159888698
3-(benzylamino)-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carbonitrile;3-(benzylamino)-6-(7-chloro-1H-indazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide;3-(benzylamino)-6-(4-chloronaphthalen-2-yl)-5-phenylpyrazine-2-carboxamide;N-[5-(4-chloro-1,3-benzothiazol-6-yl)-3-cyano-6-(3-methylpyrazol-1-yl)pyrazin-2-yl]methanesulfonamide;N-[6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)-2-oxo-1H-pyrazin-3-yl]methanesulfonamide
CID 159894729
3-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]sulfanylcyclohexan-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclohexylsulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-cyclopentylsulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylazetidin-3-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpiperidin-4-yl)sulfanyl-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-(1-methylpyrrolidin-3-yl)sulfanyl-6-phenylpyrazin-2-amine
CID 160203293
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The IUPAC name of 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine (CID 159248081) is 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine.
What is the SMILES notation for 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The canonical SMILES for 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine is CCN(CC)CCCc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccn(C)n2)nc1N.CCN(CC)CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2cnc(C)s2)nc1N.CCN(CC)CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-n2ccc(C)n2)nc1N.CCN(CC)CCCc1nc(-c2cc(Cl)c3ncsc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3ncsc3c2)n1.
What is the InChIKey of 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
The InChIKey is KUXWLFNSWFSELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN7.C24H19ClN6OS.C24H27ClN6S.C22H27ClN8.C22H26ClN7S/c1-4-31(5-2)12-7-9-20-23(26)29-24(32-13-10-16(3)30-32)22(28-20)18-14-17-8-6-11-27-21(17)19(25)15-18;1-31-8-7-18(30-31)23-21(15-10-17(25)22-20(11-15)33-13-27-22)28-19(24(26)29-23)12-16(32)9-14-5-3-2-4-6-14;1-4-31(5-2)11-7-9-19-24(26)30-23(20-14-28-15(3)32-20)22(29-19)17-12-16-8-6-10-27-21(16)18(25)13-17;1-4-31(5-2)9-6-7-18-22(24)27-21(17-8-10-30(3)29-17)20(26-18)14-11-15-13-25-28-19(15)16(23)12-14;1-4-30(5-2)9-6-7-17-22(24)27-21(16-8-10-29(3)28-16)19(26-17)14-11-15(23)20-18(12-14)31-13-25-20/h6,8,10-11,13-15H,4-5,7,9,12H2,1-3H3,(H2,26,29);2-8,10-11,13H,9,12H2,1H3,(H2,26,29);6,8,10,12-14H,4-5,7,9,11H2,1-3H3,(H2,26,30);8,10-13H,4-7,9H2,1-3H3,(H2,24,27)(H,25,28);8,10-13H,4-7,9H2,1-3H3,(H2,24,27).
What are the key properties of 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine?
1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine has a molecular weight of 2286.99 g/mol, XLogP of 23.67, 38 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine is sourced from PubChem (CID 159248081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).