3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine

C99H89Cl5N30 — CID 158571580

IUPAC3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine
SMILESC/C=C/c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.C=Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(C(C)(C)C)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C21H21ClN6.C20H19ClN6.C20H17ClN6.C19H17ClN6.C19H15ClN6/c1-21(2,3)19-20(23)26-18(15-7-9-28(4)27-15)17(25-19)13-10-12-6-5-8-24-16(12)14(22)11-13;2*1-3-5-16-20(22)25-19(15-7-9-27(2)26-15)18(24-16)13-10-12-6-4-8-23-17(12)14(21)11-13;2*1-3-14-19(21)24-18(15-6-8-26(2)25-15)17(23-14)12-9-11-5-4-7-22-16(11)13(20)10-12/h5-11H,1-4H3,(H2,23,26);4,6-11H,3,5H2,1-2H3,(H2,22,25);3-11H,1-2H3,(H2,22,25);4-10H,3H2,1-2H3,(H2,21,24);3-10H,1H2,2H3,(H2,21,24)/b;;5-3+;;
InChIKeyHSDLSOAHCJQFJI-DDBCBOQRSA-N
MW1876.28 g/mol
LogP21.13
Rot. Bonds15

About 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine

3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine (PubChem CID 158571580) has the molecular formula C99H89Cl5N30 and a molecular weight of 1876.28 g/mol. Its IUPAC name is 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine
PubChem CID158571580
Molecular FormulaC99H89Cl5N30
Molecular Weight1876.28 g/mol
Exact Mass1872.63
IUPAC Name3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine
SMILESC/C=C/c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.C=Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(C(C)(C)C)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C21H21ClN6.C20H19ClN6.C20H17ClN6.C19H17ClN6.C19H15ClN6/c1-21(2,3)19-20(23)26-18(15-7-9-28(4)27-15)17(25-19)13-10-12-6-5-8-24-16(12)14(22)11-13;2*1-3-5-16-20(22)25-19(15-7-9-27(2)26-15)18(24-16)13-10-12-6-4-8-23-17(12)14(21)11-13;2*1-3-14-19(21)24-18(15-6-8-26(2)25-15)17(23-14)12-9-11-5-4-7-22-16(11)13(20)10-12/h5-11H,1-4H3,(H2,23,26);4,6-11H,3,5H2,1-2H3,(H2,22,25);3-11H,1-2H3,(H2,22,25);4-10H,3H2,1-2H3,(H2,21,24);3-10H,1H2,2H3,(H2,21,24)/b;;5-3+;;
InChIKeyHSDLSOAHCJQFJI-DDBCBOQRSA-N
XLogP21.13
TPSA412.55 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001876.28
LogP ≤ 521.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

6-(5-Chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157642978
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
3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-1H-pyrazin-2-one;5-(8-chloroquinolin-6-yl)-3-ethoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-methoxy-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(trifluoromethyl)pyrazin-2-amine
CID 159161212
3-Amino-6-(8-chloro-4-methylquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-amino-6-(8-chloro-4-methylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-amino-6-[8-chloro-4-(trifluoromethyl)quinolin-6-yl]-5-phenylpyrazine-2-carbonitrile;3-amino-6-(4,8-dimethylquinolin-6-yl)-5-phenylpyrazine-2-carbonitrile;3-bromo-5-(8-chloro-4-methylquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 159201679
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
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-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-fluoro-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-5-quinolin-6-yl-3-(trifluoromethyl)pyrazin-2-amine
CID 161661402
5-(8-chloroquinolin-6-yl)-3-N-[[6-(methylamino)-3-pyridinyl]methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
CID 137430341
5-(8-Chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propan-2-ylpyrazin-2-amine
CID 137430599
5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine
CID 137430788
5-(8-Chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine
CID 137430799
5-(8-Chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine
CID 137430802

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine?
The IUPAC name of 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine (CID 158571580) is 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine.
What is the SMILES notation for 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine?
The canonical SMILES for 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine is C/C=C/c1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.C=Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.CCc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccn(C)n2)nc1N.Cn1ccc(-c2nc(N)c(C(C)(C)C)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine?
The InChIKey is HSDLSOAHCJQFJI-DDBCBOQRSA-N. The full InChI is InChI=1S/C21H21ClN6.C20H19ClN6.C20H17ClN6.C19H17ClN6.C19H15ClN6/c1-21(2,3)19-20(23)26-18(15-7-9-28(4)27-15)17(25-19)13-10-12-6-5-8-24-16(12)14(22)11-13;2*1-3-5-16-20(22)25-19(15-7-9-27(2)26-15)18(24-16)13-10-12-6-4-8-23-17(12)14(21)11-13;2*1-3-14-19(21)24-18(15-6-8-26(2)25-15)17(23-14)12-9-11-5-4-7-22-16(11)13(20)10-12/h5-11H,1-4H3,(H2,23,26);4,6-11H,3,5H2,1-2H3,(H2,22,25);3-11H,1-2H3,(H2,22,25);4-10H,3H2,1-2H3,(H2,21,24);3-10H,1H2,2H3,(H2,21,24)/b;;5-3+;;.
What are the key properties of 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine?
3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine has a molecular weight of 1876.28 g/mol, XLogP of 21.13, 15 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethenyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-ethyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[(E)-prop-1-enyl]pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-propylpyrazin-2-amine is sourced from PubChem (CID 158571580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).