N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide

C18H16N6OS — CID 122515314

IUPACN-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1csc2ncc(N3CCNCC3)nc12
InChIInChI=1S/C18H16N6OS/c19-9-12-3-1-2-4-14(12)22-17(25)13-11-26-18-16(13)23-15(10-21-18)24-7-5-20-6-8-24/h1-4,10-11,20H,5-8H2,(H,22,25)
InChIKeyYISBLDLMKVNLHY-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.22
Rot. Bonds3

About N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide

N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide (PubChem CID 122515314) has the molecular formula C18H16N6OS and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
PubChem CID122515314
Molecular FormulaC18H16N6OS
Molecular Weight364.43 g/mol
Exact Mass364.11
IUPAC NameN-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1csc2ncc(N3CCNCC3)nc12
InChIInChI=1S/C18H16N6OS/c19-9-12-3-1-2-4-14(12)22-17(25)13-11-26-18-16(13)23-15(10-21-18)24-7-5-20-6-8-24/h1-4,10-11,20H,5-8H2,(H,22,25)
InChIKeyYISBLDLMKVNLHY-UHFFFAOYSA-N
XLogP2.22
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide
CID 122515300
2-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-N-(2-cyanophenyl)thieno[2,3-b]pyrazine-7-carboxamide
CID 122536357
N-(2-cyanophenyl)-1-benzothiophene-3-carboxamide
CID 6468576
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109160656
N-(2-cyanophenyl)-4-ethyl-5-methylthiophene-3-carboxamide
CID 6468804
N-(2-cyanophenyl)-5-(1,4-diazepan-1-yl)-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 155274179
5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109285493
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734
N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 63024235
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
CID 63107973
N-(2-cyanophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280815
N-(2-cyanophenyl)-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109124222

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide (CID 122515314) is N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide is N#Cc1ccccc1NC(=O)c1csc2ncc(N3CCNCC3)nc12.
What is the InChIKey of N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide?
The InChIKey is YISBLDLMKVNLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6OS/c19-9-12-3-1-2-4-14(12)22-17(25)13-11-26-18-16(13)23-15(10-21-18)24-7-5-20-6-8-24/h1-4,10-11,20H,5-8H2,(H,22,25).
What are the key properties of N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide?
N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-piperazin-1-ylthieno[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 122515314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).