N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C17H13N5O2S — CID 121049976

IUPACN-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H13N5O2S/c23-16(19-12-4-3-11-9-18-20-14(11)8-12)10-22-17(24)6-5-13(21-22)15-2-1-7-25-15/h1-9H,10H2,(H,18,20)(H,19,23)
InChIKeyIRIYFQUBPGVNMD-UHFFFAOYSA-N
MW351.39 g/mol
LogP2.49
Rot. Bonds4

About N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 121049976) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID121049976
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC NameN-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C17H13N5O2S/c23-16(19-12-4-3-11-9-18-20-14(11)8-12)10-22-17(24)6-5-13(21-22)15-2-1-7-25-15/h1-9H,10H2,(H,18,20)(H,19,23)
InChIKeyIRIYFQUBPGVNMD-UHFFFAOYSA-N
XLogP2.49
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-indol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053064
N-(2-methylsulfanylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049895
2-[[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetyl]amino]acetic acid
CID 51053856
N-(1H-indazol-6-yl)-2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1248857
N-(1H-indazol-5-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 55517371
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 121049992
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7443510
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 121049972
N-(1H-indazol-6-yl)-2-[4-(4-methylphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063771
N-(1H-indazol-6-yl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19615840
N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 121049976) is N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is IRIYFQUBPGVNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c23-16(19-12-4-3-11-9-18-20-14(11)8-12)10-22-17(24)6-5-13(21-22)15-2-1-7-25-15/h1-9H,10H2,(H,18,20)(H,19,23).
What are the key properties of N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 351.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 121049976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).