3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol

C99H126FN13O7 — CID 158583328

IUPAC3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol
SMILESCOc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1F.COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1OC.COc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)nc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(O)c2)nc1C(C)(C)C
InChIInChI=1S/C18H24N2O.C17H23N3O.C17H22N2O2.C16H19FN2O.C16H20N2O.C15H18N2O/c1-12(2)21-15-9-7-14(8-10-15)16-11-19-13(3)17(20-16)18(4,5)6;1-11(2)21-15-8-7-13(9-19-15)14-10-18-12(3)16(20-14)17(4,5)6;1-11-16(17(2,3)4)19-13(10-18-11)12-7-8-14(20-5)15(9-12)21-6;1-10-15(16(2,3)4)19-13(9-18-10)11-6-7-14(20-5)12(17)8-11;1-11-15(16(2,3)4)18-14(10-17-11)12-7-6-8-13(9-12)19-5;1-10-14(15(2,3)4)17-13(9-16-10)11-6-5-7-12(18)8-11/h7-12H,1-6H3;7-11H,1-6H3;7-10H,1-6H3;6-9H,1-5H3;6-10H,1-5H3;5-9,18H,1-4H3
InChIKeyHTNDAFKFOQPYGJ-UHFFFAOYSA-N
MW1629.18 g/mol
LogP23.35
Rot. Bonds14

About 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol

3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol (PubChem CID 158583328) has the molecular formula C99H126FN13O7 and a molecular weight of 1629.18 g/mol. Its IUPAC name is 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol.

Molecular Properties

Compound Name3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol
PubChem CID158583328
Molecular FormulaC99H126FN13O7
Molecular Weight1629.18 g/mol
Exact Mass1627.99
IUPAC Name3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol
SMILESCOc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1F.COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1OC.COc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)nc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(O)c2)nc1C(C)(C)C
InChIInChI=1S/C18H24N2O.C17H23N3O.C17H22N2O2.C16H19FN2O.C16H20N2O.C15H18N2O/c1-12(2)21-15-9-7-14(8-10-15)16-11-19-13(3)17(20-16)18(4,5)6;1-11(2)21-15-8-7-13(9-19-15)14-10-18-12(3)16(20-14)17(4,5)6;1-11-16(17(2,3)4)19-13(10-18-11)12-7-8-14(20-5)15(9-12)21-6;1-10-15(16(2,3)4)19-13(9-18-10)11-6-7-14(20-5)12(17)8-11;1-11-15(16(2,3)4)18-14(10-17-11)12-7-6-8-13(9-12)19-5;1-10-14(15(2,3)4)17-13(9-16-10)11-6-5-7-12(18)8-11/h7-12H,1-6H3;7-11H,1-6H3;7-10H,1-6H3;6-9H,1-5H3;6-10H,1-5H3;5-9,18H,1-4H3
InChIKeyHTNDAFKFOQPYGJ-UHFFFAOYSA-N
XLogP23.35
TPSA243.18 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001629.18
LogP ≤ 523.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol with MolForge

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Related Compounds

1-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[[(6-methoxy-1,5-naphthyridin-4-yl)-methylamino]methyl]piperidin-4-ol;hydrochloride
CID 44536175
8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 170737296
(1S,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethane-1,2-diol
CID 170737301
8-[2-[4-[(Z)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 170737331
(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethane-1,2-diol
CID 170737332
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethanol
CID 177642887
8-[2-[4-[2-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
CID 177644079
(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethane-1,2-diol
CID 177642848
(1R,2S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]ethane-1,2-diol
CID 177643973
(1R)-2-[4-[(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]piperidin-1-yl]-1-(6-methoxy-1,5-naphthyridin-4-yl)ethanol
CID 10205324
1-[1-[[4-(Difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-dipyridin-3-ylhydrazine
CID 68870395
1-[1-[[4-(Difluoromethoxy)-3-ethoxyphenyl]methyl]piperidin-4-yl]-2-[1-[(4-methoxy-3-propoxyphenyl)methyl]piperidin-4-yl]-1,2-di(quinolin-3-yl)hydrazine
CID 68872694

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol?
The IUPAC name of 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol (CID 158583328) is 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol.
What is the SMILES notation for 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol?
The canonical SMILES for 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol is COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1F.COc1ccc(-c2cnc(C)c(C(C)(C)C)n2)cc1OC.COc1cccc(-c2cnc(C)c(C(C)(C)C)n2)c1.Cc1ncc(-c2ccc(OC(C)C)cc2)nc1C(C)(C)C.Cc1ncc(-c2ccc(OC(C)C)nc2)nc1C(C)(C)C.Cc1ncc(-c2cccc(O)c2)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol?
The InChIKey is HTNDAFKFOQPYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O.C17H23N3O.C17H22N2O2.C16H19FN2O.C16H20N2O.C15H18N2O/c1-12(2)21-15-9-7-14(8-10-15)16-11-19-13(3)17(20-16)18(4,5)6;1-11(2)21-15-8-7-13(9-19-15)14-10-18-12(3)16(20-14)17(4,5)6;1-11-16(17(2,3)4)19-13(10-18-11)12-7-8-14(20-5)15(9-12)21-6;1-10-15(16(2,3)4)19-13(9-18-10)11-6-7-14(20-5)12(17)8-11;1-11-15(16(2,3)4)18-14(10-17-11)12-7-6-8-13(9-12)19-5;1-10-14(15(2,3)4)17-13(9-16-10)11-6-5-7-12(18)8-11/h7-12H,1-6H3;7-11H,1-6H3;7-10H,1-6H3;6-9H,1-5H3;6-10H,1-5H3;5-9,18H,1-4H3.
What are the key properties of 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol?
3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol has a molecular weight of 1629.18 g/mol, XLogP of 23.35, 14 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(3,4-dimethoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-fluoro-4-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-5-(3-methoxyphenyl)-2-methylpyrazine;3-tert-butyl-2-methyl-5-(4-propan-2-yloxyphenyl)pyrazine;3-tert-butyl-2-methyl-5-(6-propan-2-yloxy-3-pyridinyl)pyrazine;3-(6-tert-butyl-5-methylpyrazin-2-yl)phenol is sourced from PubChem (CID 158583328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).