6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine

C101H90Cl3N30O+ — CID 157131091

IUPAC6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine
SMILESC=C(C)c1nc(-c2cc(Cl)c3c(=O)[nH]ccc3c2)c(-c2ccn(C)n2)nc1N.Cc1ccn(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ccn(-c2nc(N)c(C3CCC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)c(C3CCC3)nc2-c2ccc3ncccc3c2)n1.Nc1nc(-[n+]2ccccc2)c(-c2ccc3ncccc3c2)nc1C1CC1
InChIInChI=1S/C21H20N6.C21H18N5.C20H17ClN6O.C20H17ClN6.C19H18ClN7/c1-13-9-11-27(26-13)21-19(24-18(20(22)25-21)14-4-2-5-14)16-7-8-17-15(12-16)6-3-10-23-17;22-20-18(14-6-7-14)24-19(21(25-20)26-11-2-1-3-12-26)16-8-9-17-15(13-16)5-4-10-23-17;1-10(2)16-19(22)25-18(14-5-7-27(3)26-14)17(24-16)12-8-11-4-6-23-20(28)15(11)13(21)9-12;1-11-6-8-27(26-11)20-18(24-17(12-4-5-12)19(22)25-20)14-9-13-3-2-7-23-16(13)15(21)10-14;1-10-5-6-27(26-10)19-17(23-16(18(21)24-19)11-3-2-4-11)12-7-13-9-22-25-15(13)14(20)8-12/h3,6-12,14H,2,4-5H2,1H3,(H2,22,25);1-5,8-14H,6-7H2,(H2,22,25);4-9H,1H2,2-3H3,(H2,22,25)(H,23,28);2-3,6-10,12H,4-5H2,1H3,(H2,22,25);5-9,11H,2-4H2,1H3,(H2,21,24)(H,22,25)/q;+1;;;
InChIKeyQXFBSAQZOHHOAK-UHFFFAOYSA-N
MW1846.40 g/mol
LogP19.43
Rot. Bonds15

About 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine

6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 157131091) has the molecular formula C101H90Cl3N30O+ and a molecular weight of 1846.40 g/mol. Its IUPAC name is 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine
PubChem CID157131091
Molecular FormulaC101H90Cl3N30O+
Molecular Weight1846.40 g/mol
Exact Mass1843.70
IUPAC Name6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine
SMILESC=C(C)c1nc(-c2cc(Cl)c3c(=O)[nH]ccc3c2)c(-c2ccn(C)n2)nc1N.Cc1ccn(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ccn(-c2nc(N)c(C3CCC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)c(C3CCC3)nc2-c2ccc3ncccc3c2)n1.Nc1nc(-[n+]2ccccc2)c(-c2ccc3ncccc3c2)nc1C1CC1
InChIInChI=1S/C21H20N6.C21H18N5.C20H17ClN6O.C20H17ClN6.C19H18ClN7/c1-13-9-11-27(26-13)21-19(24-18(20(22)25-21)14-4-2-5-14)16-7-8-17-15(12-16)6-3-10-23-17;22-20-18(14-6-7-14)24-19(21(25-20)26-11-2-1-3-12-26)16-8-9-17-15(13-16)5-4-10-23-17;1-10(2)16-19(22)25-18(14-5-7-27(3)26-14)17(24-16)12-8-11-4-6-23-20(28)15(11)13(21)9-12;1-11-6-8-27(26-11)20-18(24-17(12-4-5-12)19(22)25-20)14-9-13-3-2-7-23-16(13)15(21)10-14;1-10-5-6-27(26-10)19-17(23-16(18(21)24-19)11-3-2-4-11)12-7-13-9-22-25-15(13)14(20)8-12/h3,6-12,14H,2,4-5H2,1H3,(H2,22,25);1-5,8-14H,6-7H2,(H2,22,25);4-9H,1H2,2-3H3,(H2,22,25)(H,23,28);2-3,6-10,12H,4-5H2,1H3,(H2,22,25);5-9,11H,2-4H2,1H3,(H2,21,24)(H,22,25)/q;+1;;;
InChIKeyQXFBSAQZOHHOAK-UHFFFAOYSA-N
XLogP19.43
TPSA434.37 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001846.40
LogP ≤ 519.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine with MolForge

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Related Compounds

4-chloro-5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]pyrido[3,4-d]pyrimidin-2-yl]-1,2-dihydroindazol-3-one;6-chloro-5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-5,6,7,8-tetrahydroquinolin-2-yl]-1,2-dihydroindazol-3-one;5-[4-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)amino]quinolin-2-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one;5-[8-(1H-1,2,4-triazol-5-ylamino)-1,7-naphthyridin-6-yl]-6-(trifluoromethyl)-1,2-dihydroindazol-3-one
CID 158202177
5-[6-[(1S,6R,7R)-7-(aminomethyl)-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-3-yl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-4-chloro-3,3-difluoro-1-methylindol-2-one;[(1S,6R,7R)-3-[3-(7-chloro-1-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine;[(1S,6R,7R)-3-[3-(7-chloro-2-methylindazol-6-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(2-fluorophenyl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
CID 170430292
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
1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]ethanone;[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-pyrrol-1-ylmethanone;1-[6-amino-3-(8-chloroquinolin-6-yl)-5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]pyridin-2-one;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(oxiran-2-yl)acetyl]pyrazin-2-yl]-2H-isoquinolin-1-one;N-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)cyclopropanecarboxamide
CID 157590939
3-[[4-amino-3-(fluoromethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one;3-[[4-amino-3-(fluoromethyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-chloro-2-(2-methylphenyl)isoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-chloro-2-phenylisoquinolin-1-one
CID 157680714
1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline
CID 158109024
3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine
CID 158171776
4-chloro-5-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-1H-benzimidazole;4-chloro-6-propan-2-yl-3H-indole;N,N-dimethyl-1-(6-propan-2-yl-1H-indol-3-yl)methanamine;1-methyl-5-propan-2-ylbenzimidazole;4-methyl-6-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-dihydroindol-2-one;6-propan-2-yl-2,3-dihydroisoindol-1-one;5-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-3H-imidazo[4,5-c]pyridine;6-propan-2-yl-3H-indole;5-propan-2-ylisoindole-1,3-dione;6-propan-2-ylisoquinoline;2-propan-2-yl-7H-purine;7-propan-2-ylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];8-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;8-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;7-propan-2-yl-1,2,3,4-tetrahydroquinoline
CID 158228086
2-chloro-N-[5-(5-methyl-1H-indazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methyl-1H-indazol-6-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methylpyrazolo[1,5-a]pyridin-6-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(4-methylpyrazolo[1,5-a]pyridin-5-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methylpyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]benzamide;2,6-difluoro-N-[5-(5-methylpyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]benzamide
CID 158466383
1-(2-chloro-4-methylphenyl)-4-propan-2-ylpyrazole;1-(2-chlorophenyl)-4-propan-2-ylpyrazole;3,5-dimethyl-1-propan-2-ylcyclohexene;methane;2-methyl-4-propan-2-ylpyridine;1-propan-2-ylcycloheptene;6-propan-2-ylindolizine;4-propan-2-ylisoquinoline;7-propan-2-ylisoquinoline;8-propan-2-ylisoquinoline;3-propan-2-ylpyrazolo[1,5-a]pyridine;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;N-(5-propan-2-yl-2-pyridinyl)acetamide;3-propan-2-ylquinoline
CID 158514199
3-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-8-methyl-2-phenylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-2-(1-ethylpiperidin-4-yl)-8-methylisoquinolin-1-one;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-phenylisoquinolin-1-one;8-chloro-3-[(1S)-1-[(2-chloro-7H-purin-6-yl)amino]ethyl]-2-phenylisoquinolin-1-one
CID 158527140

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine (CID 157131091) is 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine is C=C(C)c1nc(-c2cc(Cl)c3c(=O)[nH]ccc3c2)c(-c2ccn(C)n2)nc1N.Cc1ccn(-c2nc(N)c(C3CC3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ccn(-c2nc(N)c(C3CCC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)c(C3CCC3)nc2-c2ccc3ncccc3c2)n1.Nc1nc(-[n+]2ccccc2)c(-c2ccc3ncccc3c2)nc1C1CC1.
What is the InChIKey of 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is QXFBSAQZOHHOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6.C21H18N5.C20H17ClN6O.C20H17ClN6.C19H18ClN7/c1-13-9-11-27(26-13)21-19(24-18(20(22)25-21)14-4-2-5-14)16-7-8-17-15(12-16)6-3-10-23-17;22-20-18(14-6-7-14)24-19(21(25-20)26-11-2-1-3-12-26)16-8-9-17-15(13-16)5-4-10-23-17;1-10(2)16-19(22)25-18(14-5-7-27(3)26-14)17(24-16)12-8-11-4-6-23-20(28)15(11)13(21)9-12;1-11-6-8-27(26-11)20-18(24-17(12-4-5-12)19(22)25-20)14-9-13-3-2-7-23-16(13)15(21)10-14;1-10-5-6-27(26-10)19-17(23-16(18(21)24-19)11-3-2-4-11)12-7-13-9-22-25-15(13)14(20)8-12/h3,6-12,14H,2,4-5H2,1H3,(H2,22,25);1-5,8-14H,6-7H2,(H2,22,25);4-9H,1H2,2-3H3,(H2,22,25)(H,23,28);2-3,6-10,12H,4-5H2,1H3,(H2,22,25);5-9,11H,2-4H2,1H3,(H2,21,24)(H,22,25)/q;+1;;;.
What are the key properties of 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine?
6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 1846.40 g/mol, XLogP of 19.43, 15 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-3-(1-methylpyrazol-3-yl)-6-prop-1-en-2-ylpyrazin-2-yl]-8-chloro-2H-isoquinolin-1-one;5-(7-chloro-1H-indazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;3-cyclobutyl-6-(3-methylpyrazol-1-yl)-5-quinolin-6-ylpyrazin-2-amine;3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 157131091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).