3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide

C17H17N7O4S2 — CID 171587316

IUPAC3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1
InChIInChI=1S/C17H17N7O4S2/c18-16(26)15-17(20-6-5-19-15)23-7-9-24(10-8-23)30(27,28)14-4-2-12(29-14)11-1-3-13(25)22-21-11/h1-6H,7-10H2,(H2,18,26)(H,22,25)
InChIKeyUZARQVJWQHITPA-UHFFFAOYSA-N
MW447.50 g/mol
LogP-0.10
Rot. Bonds5

About 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide

3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide (PubChem CID 171587316) has the molecular formula C17H17N7O4S2 and a molecular weight of 447.50 g/mol. Its IUPAC name is 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide
PubChem CID171587316
Molecular FormulaC17H17N7O4S2
Molecular Weight447.50 g/mol
Exact Mass447.08
IUPAC Name3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1
InChIInChI=1S/C17H17N7O4S2/c18-16(26)15-17(20-6-5-19-15)23-7-9-24(10-8-23)30(27,28)14-4-2-12(29-14)11-1-3-13(25)22-21-11/h1-6H,7-10H2,(H2,18,26)(H,22,25)
InChIKeyUZARQVJWQHITPA-UHFFFAOYSA-N
XLogP-0.10
TPSA155.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587373
3-[5-[4-(6-amino-3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587314
3-[5-[4-(2-aminopyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587306
N-[5-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-pyridinyl]acetamide
CID 171587351
2-amino-3-methyl-N-[5-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-pyridinyl]butanamide
CID 171587292
3-[5-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587333
3-[5-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587339
3-[5-[4-[1-oxido-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587355
N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 46281809
3-[5-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 20939799
4-(hydroxymethyl)-1-(5-pyridin-2-ylthiophen-2-yl)sulfonylpiperidin-4-ol
CID 56754287
3-[5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]thiophen-2-yl]-1H-pyridazin-6-one
CID 20970044

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide (CID 171587316) is 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide is NC(=O)c1nccnc1N1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1.
What is the InChIKey of 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide?
The InChIKey is UZARQVJWQHITPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O4S2/c18-16(26)15-17(20-6-5-19-15)23-7-9-24(10-8-23)30(27,28)14-4-2-12(29-14)11-1-3-13(25)22-21-11/h1-6H,7-10H2,(H2,18,26)(H,22,25).
What are the key properties of 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide?
3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 171587316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).