7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine

C24H19N3O2S2 — CID 142989780

IUPAC7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine
SMILESCOc1ccc(-c2cnc3nc(C4=CC=CCS4)c(-c4cccs4)nc3c2)cc1OC
InChIInChI=1S/C24H19N3O2S2/c1-28-18-9-8-15(13-19(18)29-2)16-12-17-24(25-14-16)27-23(20-6-3-4-10-30-20)22(26-17)21-7-5-11-31-21/h3-9,11-14H,10H2,1-2H3
InChIKeyQNNDWEDWPFQWQH-UHFFFAOYSA-N
MW445.57 g/mol
LogP6.08
Rot. Bonds5

About 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine

7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine (PubChem CID 142989780) has the molecular formula C24H19N3O2S2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine
PubChem CID142989780
Molecular FormulaC24H19N3O2S2
Molecular Weight445.57 g/mol
Exact Mass445.09
IUPAC Name7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine
SMILESCOc1ccc(-c2cnc3nc(C4=CC=CCS4)c(-c4cccs4)nc3c2)cc1OC
InChIInChI=1S/C24H19N3O2S2/c1-28-18-9-8-15(13-19(18)29-2)16-12-17-24(25-14-16)27-23(20-6-3-4-10-30-20)22(26-17)21-7-5-11-31-21/h3-9,11-14H,10H2,1-2H3
InChIKeyQNNDWEDWPFQWQH-UHFFFAOYSA-N
XLogP6.08
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.57
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine with MolForge

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Related Compounds

4-[3-[4-(3-ethyl-2-thiophen-2-ylpyrido[2,3-b]pyrazin-7-yl)phenoxy]propyl]morpholine
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2,3-dithiophen-2-ylpyrido[2,3-b]pyrazine
CID 4638749
4-[7-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazin-3-yl]morpholine
CID 101445010
7-[4-(3-chloropropoxy)phenyl]-3-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]-2-thiophen-2-ylpyrido[2,3-b]pyrazine
CID 142989811
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CID 41002963
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CID 42417365
(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55404502
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine (CID 142989780) is 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine is COc1ccc(-c2cnc3nc(C4=CC=CCS4)c(-c4cccs4)nc3c2)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine?
The InChIKey is QNNDWEDWPFQWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S2/c1-28-18-9-8-15(13-19(18)29-2)16-12-17-24(25-14-16)27-23(20-6-3-4-10-30-20)22(26-17)21-7-5-11-31-21/h3-9,11-14H,10H2,1-2H3.
What are the key properties of 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine?
7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine has a molecular weight of 445.57 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-3-(2H-thiopyran-6-yl)pyrido[2,3-b]pyrazine is sourced from PubChem (CID 142989780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).