N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide

C21H23N3O3S — CID 118714183

IUPACN-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2cnc3scc(NC(=O)C4CCCCC4)c3n2)cc1OC
InChIInChI=1S/C21H23N3O3S/c1-26-17-9-8-14(10-18(17)27-2)15-11-22-21-19(23-15)16(12-28-21)24-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,24,25)
InChIKeyHHLFERIUOTYKKU-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.89
Rot. Bonds5

About N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide

N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide (PubChem CID 118714183) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide
PubChem CID118714183
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2cnc3scc(NC(=O)C4CCCCC4)c3n2)cc1OC
InChIInChI=1S/C21H23N3O3S/c1-26-17-9-8-14(10-18(17)27-2)15-11-22-21-19(23-15)16(12-28-21)24-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,24,25)
InChIKeyHHLFERIUOTYKKU-UHFFFAOYSA-N
XLogP4.89
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4r)-4-[(1r)-1-{[6-(3,4-Dimethoxyphenyl)[1,3]thiazolo[5,4-C]pyridin-4-Yl]oxy}ethyl]pyrrolidin-2-One
CID 91885526
2-(4-Methoxyphenyl)-N-(2-methyl-5-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)acetamide
CID 3545119
3-amino-6-(3,4-dimethoxyphenyl)-N-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1002400
N-(cyclopropylmethyl)-6-(3,4-dimethoxyphenyl)isothiazolo[4,3-b]pyridin-3-amine
CID 90466191
6-(3,4-Dimethoxyphenyl)-3-thiomorpholin-4-yl-[1,2]thiazolo[4,3-b]pyridine
CID 90468066
Drak1/2-IN-1
CID 118714182
3-amino-6-(3,4-dimethoxyphenyl)-N-propan-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 1086445
N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide
CID 122205415
1-[4-[6-(3,4-Dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]ethanone
CID 127036385
2-[2-(3,4-Dimethoxyphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 155548392
N1-(4-methoxybenzyl)-2-(pyrido[3,2-d][1,3]thiazol-2-ylthio)acetamide
CID 2727534
4-Butoxy-N-(3-{[1,3]thiazolo[5,4-B]pyridin-2-YL}phenyl)benzamide
CID 5167171

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide (CID 118714183) is N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide is COc1ccc(-c2cnc3scc(NC(=O)C4CCCCC4)c3n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide?
The InChIKey is HHLFERIUOTYKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-26-17-9-8-14(10-18(17)27-2)15-11-22-21-19(23-15)16(12-28-21)24-20(25)13-6-4-3-5-7-13/h8-13H,3-7H2,1-2H3,(H,24,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide?
N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide has a molecular weight of 397.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)thieno[2,3-b]pyrazin-7-yl]cyclohexanecarboxamide is sourced from PubChem (CID 118714183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).