2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide

C21H22N4O2S — CID 20912886

IUPAC2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
SMILESCCCn1c2ccccc2c2cnn(CC(=O)NCCc3ccsc3)c(=O)c21
InChIInChI=1S/C21H22N4O2S/c1-2-10-24-18-6-4-3-5-16(18)17-12-23-25(21(27)20(17)24)13-19(26)22-9-7-15-8-11-28-14-15/h3-6,8,11-12,14H,2,7,9-10,13H2,1H3,(H,22,26)
InChIKeySDLHPVDRSQQBJA-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.18
Rot. Bonds7

About 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide

2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide (PubChem CID 20912886) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
PubChem CID20912886
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide
SMILESCCCn1c2ccccc2c2cnn(CC(=O)NCCc3ccsc3)c(=O)c21
InChIInChI=1S/C21H22N4O2S/c1-2-10-24-18-6-4-3-5-16(18)17-12-23-25(21(27)20(17)24)13-19(26)22-9-7-15-8-11-28-14-15/h3-6,8,11-12,14H,2,7,9-10,13H2,1H3,(H,22,26)
InChIKeySDLHPVDRSQQBJA-UHFFFAOYSA-N
XLogP3.18
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
CID 22334744
N-(2-chlorophenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912845
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912739
N-(6-acetamido-3-pyridinyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912869
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912920
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 20891885
N-[3-[cyclopentyl(furan-2-ylmethyl)amino]propyl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912893
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]-2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetamide
CID 20912825
2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 20892220
2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 53054993
2-[5-[(2-methylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide
CID 20892039
2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 20892152

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide (CID 20912886) is 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide is CCCn1c2ccccc2c2cnn(CC(=O)NCCc3ccsc3)c(=O)c21.
What is the InChIKey of 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide?
The InChIKey is SDLHPVDRSQQBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-2-10-24-18-6-4-3-5-16(18)17-12-23-25(21(27)20(17)24)13-19(26)22-9-7-15-8-11-28-14-15/h3-6,8,11-12,14H,2,7,9-10,13H2,1H3,(H,22,26).
What are the key properties of 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide?
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide has a molecular weight of 394.50 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)-N-(2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 20912886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).