4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine

C120H94Cl5F4N29O5 — CID 158404941

IUPAC4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
SMILESCN1CCC(COc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1ccc(COc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCc1cccnc1
InChIInChI=1S/C25H17ClN6O.C24H18ClF3N6O.C24H17ClFN5O.C24H25ClN6O.C23H17ClN6O/c26-20-11-18(10-19-13-29-32-21(19)20)23-22(17-4-2-1-3-5-17)30-24(28)25(31-23)33-14-16-8-6-15(12-27)7-9-16;25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28;25-19-11-16(10-17-12-28-31-20(17)19)22-21(15-4-2-1-3-5-15)29-23(27)24(30-22)32-13-14-6-8-18(26)9-7-14;1-31-9-7-15(8-10-31)14-32-24-23(26)28-21(16-5-3-2-4-6-16)22(29-24)17-11-18-13-27-30-20(18)19(25)12-17;24-18-10-16(9-17-12-27-30-19(17)18)21-20(15-6-2-1-3-7-15)28-22(25)23(29-21)31-13-14-5-4-8-26-11-14/h1-11,13H,14H2,(H2,28,30)(H,29,32);1-7,10-13H,8-9H2,(H2,29,31)(H,30,33);1-12H,13H2,(H2,27,29)(H,28,31);2-6,11-13,15H,7-10,14H2,1H3,(H2,26,28)(H,27,30);1-12H,13H2,(H2,25,28)(H,27,30)
InChIKeyGYOIVJNYENNNAR-UHFFFAOYSA-N
MW2275.53 g/mol
LogP26.38
Rot. Bonds26

About 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine

4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine (PubChem CID 158404941) has the molecular formula C120H94Cl5F4N29O5 and a molecular weight of 2275.53 g/mol. Its IUPAC name is 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine.

Molecular Properties

Compound Name4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
PubChem CID158404941
Molecular FormulaC120H94Cl5F4N29O5
Molecular Weight2275.53 g/mol
Exact Mass2271.64
IUPAC Name4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine
SMILESCN1CCC(COc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1ccc(COc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCc1cccnc1
InChIInChI=1S/C25H17ClN6O.C24H18ClF3N6O.C24H17ClFN5O.C24H25ClN6O.C23H17ClN6O/c26-20-11-18(10-19-13-29-32-21(19)20)23-22(17-4-2-1-3-5-17)30-24(28)25(31-23)33-14-16-8-6-15(12-27)7-9-16;25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28;25-19-11-16(10-17-12-28-31-20(17)19)22-21(15-4-2-1-3-5-15)29-23(27)24(30-22)32-13-14-6-8-18(26)9-7-14;1-31-9-7-15(8-10-31)14-32-24-23(26)28-21(16-5-3-2-4-6-16)22(29-24)17-11-18-13-27-30-20(18)19(25)12-17;24-18-10-16(9-17-12-27-30-19(17)18)21-20(15-6-2-1-3-7-15)28-22(25)23(29-21)31-13-14-5-4-8-26-11-14/h1-11,13H,14H2,(H2,28,30)(H,29,32);1-7,10-13H,8-9H2,(H2,29,31)(H,30,33);1-12H,13H2,(H2,27,29)(H,28,31);2-6,11-13,15H,7-10,14H2,1H3,(H2,26,28)(H,27,30);1-12H,13H2,(H2,25,28)(H,27,30)
InChIKeyGYOIVJNYENNNAR-UHFFFAOYSA-N
XLogP26.38
TPSA493.40 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms163
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002275.53
LogP ≤ 526.38
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-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 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The IUPAC name of 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine (CID 158404941) is 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine.
What is the SMILES notation for 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The canonical SMILES for 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine is CN1CCC(COc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.N#Cc1ccc(COc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCc1ccc(F)cc1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1OCc1cccnc1.
What is the InChIKey of 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
The InChIKey is GYOIVJNYENNNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN6O.C24H18ClF3N6O.C24H17ClFN5O.C24H25ClN6O.C23H17ClN6O/c26-20-11-18(10-19-13-29-32-21(19)20)23-22(17-4-2-1-3-5-17)30-24(28)25(31-23)33-14-16-8-6-15(12-27)7-9-16;25-18-11-15(10-16-12-30-33-19(16)18)21-20(14-4-2-1-3-5-14)31-22(29)23(32-21)35-9-8-34-7-6-17(13-34)24(26,27)28;25-19-11-16(10-17-12-28-31-20(17)19)22-21(15-4-2-1-3-5-15)29-23(27)24(30-22)32-13-14-6-8-18(26)9-7-14;1-31-9-7-15(8-10-31)14-32-24-23(26)28-21(16-5-3-2-4-6-16)22(29-24)17-11-18-13-27-30-20(18)19(25)12-17;24-18-10-16(9-17-12-27-30-19(17)18)21-20(15-6-2-1-3-7-15)28-22(25)23(29-21)31-13-14-5-4-8-26-11-14/h1-11,13H,14H2,(H2,28,30)(H,29,32);1-7,10-13H,8-9H2,(H2,29,31)(H,30,33);1-12H,13H2,(H2,27,29)(H,28,31);2-6,11-13,15H,7-10,14H2,1H3,(H2,26,28)(H,27,30);1-12H,13H2,(H2,25,28)(H,27,30).
What are the key properties of 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine?
4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine has a molecular weight of 2275.53 g/mol, XLogP of 26.38, 26 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenylpyrazin-2-yl]oxymethyl]benzonitrile;5-(7-chloro-1H-indazol-5-yl)-3-[(4-fluorophenyl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)methoxy]-6-phenylpyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-(pyridin-3-ylmethoxy)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethoxy]pyrazin-2-amine is sourced from PubChem (CID 158404941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).