(5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol

C58H61ClN14O14S — CID 163514267

IUPAC(5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol
SMILESCOC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(OC)cn1.COc1cnc(CO)cn1.COc1cnc(COS(C)(=O)=O)cn1.COc1cnc(COc2ccc3c(c2)CN(c2ccncc2)C3)cn1.Oc1ccc2c(c1)CN(c1ccncc1)C2
InChIInChI=1S/C19H18N4O2.C13H12N2O.C7H10N2O4S.C7H8N2O3.C6H5ClN2O2.C6H8N2O2/c1-24-19-10-21-16(9-22-19)13-25-18-3-2-14-11-23(12-15(14)8-18)17-4-6-20-7-5-17;16-13-2-1-10-8-15(9-11(10)7-13)12-3-5-14-6-4-12;1-12-7-4-8-6(3-9-7)5-13-14(2,10)11;1-11-6-4-8-5(3-9-6)7(10)12-2;1-11-6(10)4-2-9-5(7)3-8-4;1-10-6-3-7-5(4-9)2-8-6/h2-10H,11-13H2,1H3;1-7,16H,8-9H2;3-4H,5H2,1-2H3;3-4H,1-2H3;2-3H,1H3;2-3,9H,4H2,1H3
InChIKeyDFIKAZMGDJNWQI-UHFFFAOYSA-N
MW1245.73 g/mol
LogP6.41
Rot. Bonds15

About (5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol

(5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol (PubChem CID 163514267) has the molecular formula C58H61ClN14O14S and a molecular weight of 1245.73 g/mol. Its IUPAC name is (5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol.

Molecular Properties

Compound Name(5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol
PubChem CID163514267
Molecular FormulaC58H61ClN14O14S
Molecular Weight1245.73 g/mol
Exact Mass1244.39
IUPAC Name(5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol
SMILESCOC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(OC)cn1.COc1cnc(CO)cn1.COc1cnc(COS(C)(=O)=O)cn1.COc1cnc(COc2ccc3c(c2)CN(c2ccncc2)C3)cn1.Oc1ccc2c(c1)CN(c1ccncc1)C2
InChIInChI=1S/C19H18N4O2.C13H12N2O.C7H10N2O4S.C7H8N2O3.C6H5ClN2O2.C6H8N2O2/c1-24-19-10-21-16(9-22-19)13-25-18-3-2-14-11-23(12-15(14)8-18)17-4-6-20-7-5-17;16-13-2-1-10-8-15(9-11(10)7-13)12-3-5-14-6-4-12;1-12-7-4-8-6(3-9-7)5-13-14(2,10)11;1-11-6-4-8-5(3-9-6)7(10)12-2;1-11-6(10)4-2-9-5(7)3-8-4;1-10-6-3-7-5(4-9)2-8-6/h2-10H,11-13H2,1H3;1-7,16H,8-9H2;3-4H,5H2,1-2H3;3-4H,1-2H3;2-3H,1H3;2-3,9H,4H2,1H3
InChIKeyDFIKAZMGDJNWQI-UHFFFAOYSA-N
XLogP6.41
TPSA343.74 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001245.73
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol?
The IUPAC name of (5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol (CID 163514267) is (5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol.
What is the SMILES notation for (5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol?
The canonical SMILES for (5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol is COC(=O)c1cnc(Cl)cn1.COC(=O)c1cnc(OC)cn1.COc1cnc(CO)cn1.COc1cnc(COS(C)(=O)=O)cn1.COc1cnc(COc2ccc3c(c2)CN(c2ccncc2)C3)cn1.Oc1ccc2c(c1)CN(c1ccncc1)C2.
What is the InChIKey of (5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol?
The InChIKey is DFIKAZMGDJNWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2.C13H12N2O.C7H10N2O4S.C7H8N2O3.C6H5ClN2O2.C6H8N2O2/c1-24-19-10-21-16(9-22-19)13-25-18-3-2-14-11-23(12-15(14)8-18)17-4-6-20-7-5-17;16-13-2-1-10-8-15(9-11(10)7-13)12-3-5-14-6-4-12;1-12-7-4-8-6(3-9-7)5-13-14(2,10)11;1-11-6-4-8-5(3-9-6)7(10)12-2;1-11-6(10)4-2-9-5(7)3-8-4;1-10-6-3-7-5(4-9)2-8-6/h2-10H,11-13H2,1H3;1-7,16H,8-9H2;3-4H,5H2,1-2H3;3-4H,1-2H3;2-3H,1H3;2-3,9H,4H2,1H3.
What are the key properties of (5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol?
(5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol has a molecular weight of 1245.73 g/mol, XLogP of 6.41, 15 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxypyrazin-2-yl)methanol;5-[(5-methoxypyrazin-2-yl)methoxy]-2-pyridin-4-yl-1,3-dihydroisoindole;(5-methoxypyrazin-2-yl)methyl methanesulfonate;methyl 5-chloropyrazine-2-carboxylate;methyl 5-methoxypyrazine-2-carboxylate;2-pyridin-4-yl-1,3-dihydroisoindol-5-ol is sourced from PubChem (CID 163514267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).