2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid

C14H13N3O3 — CID 53212538

IUPAC2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid
SMILESCC(C(=O)O)n1ncc2c3ccccc3n(C)c2c1=O
InChIInChI=1S/C14H13N3O3/c1-8(14(19)20)17-13(18)12-10(7-15-17)9-5-3-4-6-11(9)16(12)2/h3-8H,1-2H3,(H,19,20)
InChIKeyRNYPSDRRMLCBNH-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.53
Rot. Bonds2

About 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid

2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid (PubChem CID 53212538) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid
PubChem CID53212538
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid
SMILESCC(C(=O)O)n1ncc2c3ccccc3n(C)c2c1=O
InChIInChI=1S/C14H13N3O3/c1-8(14(19)20)17-13(18)12-10(7-15-17)9-5-3-4-6-11(9)16(12)2/h3-8H,1-2H3,(H,19,20)
InChIKeyRNYPSDRRMLCBNH-UHFFFAOYSA-N
XLogP1.53
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid 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

2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanoic acid
CID 6623394
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide
CID 20891863
5-methyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]pyridazino[4,5-b]indol-4-one
CID 20891834
2-(4-oxo-5-propylpyridazino[4,5-b]indol-3-yl)acetic acid
CID 22334744
3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one
CID 167949386
2-(6-ethyl-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl)propanoic acid
CID 53212620
5-methyl-3H-pyridazino[4,5-b]indol-4-one
CID 3056946
(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
CID 7061916
3-methyl-5-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyridazino[4,5-b]indol-4-one
CID 6623617
(2R)-2-(7-bromo-1-oxophthalazin-2-yl)propanoic acid
CID 97179734
5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025405
ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one
CID 90936622

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid?
The IUPAC name of 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid (CID 53212538) is 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid?
The canonical SMILES for 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid is CC(C(=O)O)n1ncc2c3ccccc3n(C)c2c1=O.
What is the InChIKey of 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid?
The InChIKey is RNYPSDRRMLCBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8(14(19)20)17-13(18)12-10(7-15-17)9-5-3-4-6-11(9)16(12)2/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid?
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid has a molecular weight of 271.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid is sourced from PubChem (CID 53212538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).