5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine

C95H81Cl4F4N27O4 — CID 162228078

IUPAC5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
SMILESCN1CCC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cn1ccc(-c2nc(N)c(OCCn3ccc(C(F)(F)F)c3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H19ClF3N7O.C24H18ClFN6O.C24H26ClN7O.C23H18ClN7O/c1-34-7-5-18(33-34)21-20(15-11-14-3-2-6-30-19(14)17(25)12-15)32-23(22(29)31-21)36-10-9-35-8-4-16(13-35)24(26,27)28;1-32-10-8-19(31-32)22-21(16-11-15-3-2-9-28-20(15)18(25)12-16)30-24(23(27)29-22)33-13-14-4-6-17(26)7-5-14;1-31-9-5-15(6-10-31)14-33-24-23(26)28-22(19-7-11-32(2)30-19)21(29-24)17-12-16-4-3-8-27-20(16)18(25)13-17;1-31-9-6-18(30-31)21-20(16-10-15-5-3-8-27-19(15)17(24)11-16)29-23(22(25)28-21)32-13-14-4-2-7-26-12-14/h2-8,11-13H,9-10H2,1H3,(H2,29,31);2-12H,13H2,1H3,(H2,27,29);3-4,7-8,11-13,15H,5-6,9-10,14H2,1-2H3,(H2,26,28);2-12H,13H2,1H3,(H2,25,28)
InChIKeyZVAKPQKBXNLWHO-UHFFFAOYSA-N
MW1882.68 g/mol
LogP18.62
Rot. Bonds21

About 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine

5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine (PubChem CID 162228078) has the molecular formula C95H81Cl4F4N27O4 and a molecular weight of 1882.68 g/mol. Its IUPAC name is 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine.

Molecular Properties

Compound Name5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
PubChem CID162228078
Molecular FormulaC95H81Cl4F4N27O4
Molecular Weight1882.68 g/mol
Exact Mass1879.57
IUPAC Name5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
SMILESCN1CCC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cn1ccc(-c2nc(N)c(OCCn3ccc(C(F)(F)F)c3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1
InChIInChI=1S/C24H19ClF3N7O.C24H18ClFN6O.C24H26ClN7O.C23H18ClN7O/c1-34-7-5-18(33-34)21-20(15-11-14-3-2-6-30-19(14)17(25)12-15)32-23(22(29)31-21)36-10-9-35-8-4-16(13-35)24(26,27)28;1-32-10-8-19(31-32)22-21(16-11-15-3-2-9-28-20(15)18(25)12-16)30-24(23(27)29-22)33-13-14-4-6-17(26)7-5-14;1-31-9-5-15(6-10-31)14-33-24-23(26)28-22(19-7-11-32(2)30-19)21(29-24)17-12-16-4-3-8-27-20(16)18(25)13-17;1-31-9-6-18(30-31)21-20(16-10-15-5-3-8-27-19(15)17(24)11-16)29-23(22(25)28-21)32-13-14-4-2-7-26-12-14/h2-8,11-13H,9-10H2,1H3,(H2,29,31);2-12H,13H2,1H3,(H2,27,29);3-4,7-8,11-13,15H,5-6,9-10,14H2,1-2H3,(H2,26,28);2-12H,13H2,1H3,(H2,25,28)
InChIKeyZVAKPQKBXNLWHO-UHFFFAOYSA-N
XLogP18.62
TPSA388.02 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms134
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001882.68
LogP ≤ 518.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The IUPAC name of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine (CID 162228078) is 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine.
What is the SMILES notation for 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The canonical SMILES for 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine is CN1CCC(COc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)CC1.Cn1ccc(-c2nc(N)c(OCCn3ccc(C(F)(F)F)c3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(OCc3cccnc3)nc2-c2cc(Cl)c3ncccc3c2)n1.
What is the InChIKey of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The InChIKey is ZVAKPQKBXNLWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N7O.C24H18ClFN6O.C24H26ClN7O.C23H18ClN7O/c1-34-7-5-18(33-34)21-20(15-11-14-3-2-6-30-19(14)17(25)12-15)32-23(22(29)31-21)36-10-9-35-8-4-16(13-35)24(26,27)28;1-32-10-8-19(31-32)22-21(16-11-15-3-2-9-28-20(15)18(25)12-16)30-24(23(27)29-22)33-13-14-4-6-17(26)7-5-14;1-31-9-5-15(6-10-31)14-33-24-23(26)28-22(19-7-11-32(2)30-19)21(29-24)17-12-16-4-3-8-27-20(16)18(25)13-17;1-31-9-6-18(30-31)21-20(16-10-15-5-3-8-27-19(15)17(24)11-16)29-23(22(25)28-21)32-13-14-4-2-7-26-12-14/h2-8,11-13H,9-10H2,1H3,(H2,29,31);2-12H,13H2,1H3,(H2,27,29);3-4,7-8,11-13,15H,5-6,9-10,14H2,1-2H3,(H2,26,28);2-12H,13H2,1H3,(H2,25,28).
What are the key properties of 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine has a molecular weight of 1882.68 g/mol, XLogP of 18.62, 21 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-chloroquinolin-6-yl)-3-[(4-fluorophenyl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-methylpyrazol-3-yl)-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine is sourced from PubChem (CID 162228078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).