3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol

C52H39BrCl2F2N10O2 — CID 159440021

IUPAC3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol
SMILESCC(O)c1ccccn1.CC(Oc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1Br
InChIInChI=1S/C26H19ClFN5O.C19H11BrClFN4.C7H9NO/c1-15(21-6-2-3-11-30-21)34-26-25(29)32-23(16-7-9-19(28)10-8-16)24(33-26)18-13-17-5-4-12-31-22(17)20(27)14-18;20-18-19(23)26-16(10-3-5-13(22)6-4-10)17(25-18)12-8-11-2-1-7-24-15(11)14(21)9-12;1-6(9)7-4-2-3-5-8-7/h2-15H,1H3,(H2,29,32);1-9H,(H2,23,26);2-6,9H,1H3
InChIKeyLSAYTJMQPCXIEF-UHFFFAOYSA-N
MW1024.76 g/mol
LogP12.90
Rot. Bonds8

About 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol

3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol (PubChem CID 159440021) has the molecular formula C52H39BrCl2F2N10O2 and a molecular weight of 1024.76 g/mol. Its IUPAC name is 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol.

Molecular Properties

Compound Name3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol
PubChem CID159440021
Molecular FormulaC52H39BrCl2F2N10O2
Molecular Weight1024.76 g/mol
Exact Mass1022.18
IUPAC Name3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol
SMILESCC(O)c1ccccn1.CC(Oc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1Br
InChIInChI=1S/C26H19ClFN5O.C19H11BrClFN4.C7H9NO/c1-15(21-6-2-3-11-30-21)34-26-25(29)32-23(16-7-9-19(28)10-8-16)24(33-26)18-13-17-5-4-12-31-22(17)20(27)14-18;20-18-19(23)26-16(10-3-5-13(22)6-4-10)17(25-18)12-8-11-2-1-7-24-15(11)14(21)9-12;1-6(9)7-4-2-3-5-8-7/h2-15H,1H3,(H2,29,32);1-9H,(H2,23,26);2-6,9H,1H3
InChIKeyLSAYTJMQPCXIEF-UHFFFAOYSA-N
XLogP12.90
TPSA184.62 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001024.76
LogP ≤ 512.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol with MolForge

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Related Compounds

5-(8-Chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine
CID 137431321
5-(8-Chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine
CID 154604587
2-[6-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]oxymethyl]-2-pyridinyl]propan-2-ol
CID 154658145
4-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
CID 159763296
5-(8-Chloroquinolin-6-yl)-3-[[6-(methylamino)-3-pyridinyl]methoxy]-6-phenylpyrazin-2-amine
CID 137431318
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine
CID 137431319
1-[6-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]pyrrolidin-3-ol
CID 154657803
5-(8-Chloroquinolin-6-yl)-3-[[6-(cyclopropyloxymethyl)-2-pyridinyl]methoxy]-6-phenylpyrazin-2-amine
CID 154657837
1-[6-[[3-Amino-6-(8-chloroquinolin-6-yl)-5-phenylpyrazin-2-yl]oxymethyl]-2-pyridinyl]cyclobutan-1-ol
CID 154657847
3-[6-Amino-3-(8-chloroquinolin-6-yl)-5-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]methoxy]pyrazin-2-yl]-2-methylbenzonitrile
CID 154657879
5-(8-Chloroquinolin-6-yl)-3-[(6-cyclopropyl-2-pyridinyl)methoxy]-6-phenylpyrazin-2-amine
CID 154658134
5-(8-Chloroquinolin-6-yl)-6-phenyl-3-[(6-propan-2-yl-2-pyridinyl)methoxy]pyrazin-2-amine
CID 154658153

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol?
The IUPAC name of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol (CID 159440021) is 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol.
What is the SMILES notation for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol?
The canonical SMILES for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol is CC(O)c1ccccn1.CC(Oc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccc(F)cc2)nc1N)c1ccccn1.Nc1nc(-c2ccc(F)cc2)c(-c2cc(Cl)c3ncccc3c2)nc1Br.
What is the InChIKey of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol?
The InChIKey is LSAYTJMQPCXIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O.C19H11BrClFN4.C7H9NO/c1-15(21-6-2-3-11-30-21)34-26-25(29)32-23(16-7-9-19(28)10-8-16)24(33-26)18-13-17-5-4-12-31-22(17)20(27)14-18;20-18-19(23)26-16(10-3-5-13(22)6-4-10)17(25-18)12-8-11-2-1-7-24-15(11)14(21)9-12;1-6(9)7-4-2-3-5-8-7/h2-15H,1H3,(H2,29,32);1-9H,(H2,23,26);2-6,9H,1H3.
What are the key properties of 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol?
3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol has a molecular weight of 1024.76 g/mol, XLogP of 12.90, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(4-fluorophenyl)-3-(1-pyridin-2-ylethoxy)pyrazin-2-amine;1-pyridin-2-ylethanol is sourced from PubChem (CID 159440021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).