imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane

C16H16N4O3S — CID 175633634

IUPACimino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(COc2cnc3nc(OC)ccc3n2)cc1
InChIInChI=1S/C16H16N4O3S/c1-22-14-8-7-13-16(20-14)18-9-15(19-13)23-10-11-3-5-12(6-4-11)24(2,17)21/h3-9,17H,10H2,1-2H3
InChIKeyGTHVDZRNEWRWID-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.65
Rot. Bonds5

About imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane

imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane (PubChem CID 175633634) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
PubChem CID175633634
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Nameimino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(COc2cnc3nc(OC)ccc3n2)cc1
InChIInChI=1S/C16H16N4O3S/c1-22-14-8-7-13-16(20-14)18-9-15(19-13)23-10-11-3-5-12(6-4-11)24(2,17)21/h3-9,17H,10H2,1-2H3
InChIKeyGTHVDZRNEWRWID-UHFFFAOYSA-N
XLogP2.65
TPSA98.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane (CID 175633634) is imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(COc2cnc3nc(OC)ccc3n2)cc1.
What is the InChIKey of imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane?
The InChIKey is GTHVDZRNEWRWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-22-14-8-7-13-16(20-14)18-9-15(19-13)23-10-11-3-5-12(6-4-11)24(2,17)21/h3-9,17H,10H2,1-2H3.
What are the key properties of imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane?
imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane has a molecular weight of 344.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[4-[(6-methoxypyrido[2,3-b]pyrazin-2-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 175633634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).