[3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one

C106H93Cl2N33O9 — CID 159906122

IUPAC[3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one
SMILESCC(=O)c1nc(-c2cc(C)c3nc[nH]c3c2)c(-c2ccn(C)n2)nc1N.Cc1ccc(-c2nc(N)c(C(=O)n3cccc3)nc2-c2cc(Cl)c3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C(=O)C3CC3)nc2-c2cc(Cl)c3ocnc3c2)n1.Cc1ccn(-c2nc(N)c(C(=O)CN3CCN(C)CC3)nc2-c2ccc3nnccc3c2)n1.Nc1nc(-n2ccccc2=O)c(-c2ccc3[nH]c(=O)ccc3c2)nc1C(=O)N1CCCC1
InChIInChI=1S/C23H16ClN5O2.C23H25N9O.C23H20N6O3.C19H15ClN6O2.C18H17N7O/c1-13-6-7-17(31-13)20-19(15-11-14-5-4-8-26-18(14)16(24)12-15)27-21(22(25)28-20)23(30)29-9-2-3-10-29;1-15-6-8-32(29-15)23-20(17-3-4-18-16(13-17)5-7-25-28-18)26-21(22(24)27-23)19(33)14-31-11-9-30(2)10-12-31;24-21-20(23(32)28-10-3-4-11-28)26-19(22(27-21)29-12-2-1-5-18(29)31)15-6-8-16-14(13-15)7-9-17(30)25-16;1-9-4-5-26(25-9)19-14(11-6-12(20)17-13(7-11)22-8-28-17)23-15(18(21)24-19)16(27)10-2-3-10;1-9-6-11(7-13-14(9)21-8-20-13)16-17(12-4-5-25(3)24-12)23-18(19)15(22-16)10(2)26/h2-12H,1H3,(H2,25,28);3-8,13H,9-12,14H2,1-2H3,(H2,24,27);1-2,5-9,12-13H,3-4,10-11H2,(H2,24,27)(H,25,30);4-8,10H,2-3H2,1H3,(H2,21,24);4-8H,1-3H3,(H2,19,23)(H,20,21)
InChIKeyNWPAXOIAGWTZGG-UHFFFAOYSA-N
MW2044.04 g/mol
LogP14.65
Rot. Bonds18

About [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one

[3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one (PubChem CID 159906122) has the molecular formula C106H93Cl2N33O9 and a molecular weight of 2044.04 g/mol. Its IUPAC name is [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name[3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one
PubChem CID159906122
Molecular FormulaC106H93Cl2N33O9
Molecular Weight2044.04 g/mol
Exact Mass2041.72
IUPAC Name[3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one
SMILESCC(=O)c1nc(-c2cc(C)c3nc[nH]c3c2)c(-c2ccn(C)n2)nc1N.Cc1ccc(-c2nc(N)c(C(=O)n3cccc3)nc2-c2cc(Cl)c3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C(=O)C3CC3)nc2-c2cc(Cl)c3ocnc3c2)n1.Cc1ccn(-c2nc(N)c(C(=O)CN3CCN(C)CC3)nc2-c2ccc3nnccc3c2)n1.Nc1nc(-n2ccccc2=O)c(-c2ccc3[nH]c(=O)ccc3c2)nc1C(=O)N1CCCC1
InChIInChI=1S/C23H16ClN5O2.C23H25N9O.C23H20N6O3.C19H15ClN6O2.C18H17N7O/c1-13-6-7-17(31-13)20-19(15-11-14-5-4-8-26-18(14)16(24)12-15)27-21(22(25)28-20)23(30)29-9-2-3-10-29;1-15-6-8-32(29-15)23-20(17-3-4-18-16(13-17)5-7-25-28-18)26-21(22(24)27-23)19(33)14-31-11-9-30(2)10-12-31;24-21-20(23(32)28-10-3-4-11-28)26-19(22(27-21)29-12-2-1-5-18(29)31)15-6-8-16-14(13-15)7-9-17(30)25-16;1-9-4-5-26(25-9)19-14(11-6-12(20)17-13(7-11)22-8-28-17)23-15(18(21)24-19)16(27)10-2-3-10;1-9-6-11(7-13-14(9)21-8-20-13)16-17(12-4-5-25(3)24-12)23-18(19)15(22-16)10(2)26/h2-12H,1H3,(H2,25,28);3-8,13H,9-12,14H2,1-2H3,(H2,24,27);1-2,5-9,12-13H,3-4,10-11H2,(H2,24,27)(H,25,30);4-8,10H,2-3H2,1H3,(H2,21,24);4-8H,1-3H3,(H2,19,23)(H,20,21)
InChIKeyNWPAXOIAGWTZGG-UHFFFAOYSA-N
XLogP14.65
TPSA573.84 Ų
H-Bond Donors7
H-Bond Acceptors39
Rotatable Bonds18
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002044.04
LogP ≤ 514.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1039

Analyze [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 157085973
1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine
CID 157127258
3-tert-butyl-5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylthiophen-2-yl)pyrazin-2-amine;5-(7-chloro-4-methyl-1,3-benzoxazol-5-yl)-3-methyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-3-methyl-2H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine;5-(8-chloroquinolin-6-yl)-6-(5-methylfuran-3-yl)-3-propan-2-ylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methyl-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
CID 157996299
3-chloro-N,N-dimethyl-4-[[4-(methylamino)-5-[4-(4H-pyrazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-chloro-4-[[4-methoxy-5-(2-methyl-3H-indol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N-dimethylbenzamide;4-[[4-methoxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;[3-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 158110185
3-amino-6-(1,3-benzoxazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-(aminomethyl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-[5-amino-3-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2H-isoquinolin-1-one;5-(7-chloro-1H-indol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrrol-1-yl)pyrazin-2-amine
CID 158445831
3-chloro-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-chloro-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-(1,4-dimethylindazol-5-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[5-(2-fluoro-6-methyl-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide
CID 158762008
5-(1,3-benzothiazol-6-yl)-6-phenylpyrazin-2-amine;5-(1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methylfuran-2-yl)pyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-pyrazol-1-ylpyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-phenylpyrazin-2-amine;6-(1,3,4-oxadiazol-2-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 159065029
N-benzyl-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(4-chloro-1,3-benzoxazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[2-(4-methylpiperazin-1-yl)ethoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazin-2-amine
CID 159343012
4-[5-amino-3-(furan-2-yl)pyrazin-2-yl]-2-chlorophenol;5-(3H-benzimidazol-5-yl)-6-phenylpyrazin-2-amine;3-bromo-6-phenyl-5-quinolin-6-ylpyrazin-2-amine;5-(7-chloro-3H-benzimidazol-5-yl)-6-phenylpyrazin-2-amine;5-(1H-indol-5-yl)-6-phenylpyrazin-2-amine;5-(2-methyl-3H-benzimidazol-5-yl)-6-phenylpyrazin-2-amine
CID 159478924
6-(1,3-benzoxazol-6-yl)-7-(2-methyl-1H-pyrazol-2-ium-5-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-3H-benzimidazol-5-yl)-7-(2-methyl-1H-pyrazol-2-ium-5-yl)-1H-1,8-naphthyridin-4-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1H-pyrazol-2-ium-5-yl)-1H-1,8-naphthyridin-4-one;7-(5-methylfuran-2-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one;7-(3-methylpyrazol-1-yl)-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 159985034
3-[6-(7-chloro-2-cyclopropyl-1,3-benzoxazol-5-yl)pyrimidin-4-yl]-4H-1,2,4-oxadiazol-5-one;7-chloro-2-cyclopropyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1,3-benzoxazole;7-chloro-3-methyl-5-[6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]-1,3-benzoxazol-2-one;7-chloro-3-methyl-5-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]-1,3-benzoxazol-2-one;8-chloro-6-[6-(2H-tetrazol-5-yl)pyrimidin-4-yl]imidazo[1,2-a]pyridine
CID 160019560
3-amino-6-(7-chloro-3H-benzimidazol-5-yl)-5-pyrazol-1-ylpyrazine-2-carbonitrile;3-amino-5-(3-methylpyrazol-1-yl)-6-(8-methylquinolin-6-yl)pyrazine-2-carbonitrile;6-(5-methylfuran-2-yl)-5-(4-methylquinolin-6-yl)pyrazin-2-amine;6-(5-methylfuran-2-yl)-5-(5-methylquinolin-6-yl)pyrazin-2-amine;6-(oxan-2-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 160173113

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one?
The IUPAC name of [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one (CID 159906122) is [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one?
The canonical SMILES for [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one is CC(=O)c1nc(-c2cc(C)c3nc[nH]c3c2)c(-c2ccn(C)n2)nc1N.Cc1ccc(-c2nc(N)c(C(=O)n3cccc3)nc2-c2cc(Cl)c3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C(=O)C3CC3)nc2-c2cc(Cl)c3ocnc3c2)n1.Cc1ccn(-c2nc(N)c(C(=O)CN3CCN(C)CC3)nc2-c2ccc3nnccc3c2)n1.Nc1nc(-n2ccccc2=O)c(-c2ccc3[nH]c(=O)ccc3c2)nc1C(=O)N1CCCC1.
What is the InChIKey of [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one?
The InChIKey is NWPAXOIAGWTZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN5O2.C23H25N9O.C23H20N6O3.C19H15ClN6O2.C18H17N7O/c1-13-6-7-17(31-13)20-19(15-11-14-5-4-8-26-18(14)16(24)12-15)27-21(22(25)28-20)23(30)29-9-2-3-10-29;1-15-6-8-32(29-15)23-20(17-3-4-18-16(13-17)5-7-25-28-18)26-21(22(24)27-23)19(33)14-31-11-9-30(2)10-12-31;24-21-20(23(32)28-10-3-4-11-28)26-19(22(27-21)29-12-2-1-5-18(29)31)15-6-8-16-14(13-15)7-9-17(30)25-16;1-9-4-5-26(25-9)19-14(11-6-12(20)17-13(7-11)22-8-28-17)23-15(18(21)24-19)16(27)10-2-3-10;1-9-6-11(7-13-14(9)21-8-20-13)16-17(12-4-5-25(3)24-12)23-18(19)15(22-16)10(2)26/h2-12H,1H3,(H2,25,28);3-8,13H,9-12,14H2,1-2H3,(H2,24,27);1-2,5-9,12-13H,3-4,10-11H2,(H2,24,27)(H,25,30);4-8,10H,2-3H2,1H3,(H2,21,24);4-8H,1-3H3,(H2,19,23)(H,20,21).
What are the key properties of [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one?
[3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one has a molecular weight of 2044.04 g/mol, XLogP of 14.65, 18 rotatable bonds, 7 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(7-chloro-1,3-benzoxazol-5-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-cyclopropylmethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(5-methylfuran-2-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[3-amino-6-cinnolin-6-yl-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-2-(4-methylpiperazin-1-yl)ethanone;1-[3-amino-6-(7-methyl-3H-benzimidazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;6-[5-amino-3-(2-oxo-1-pyridinyl)-6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 159906122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).