3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one

C15H10ClN5O — CID 167949386

IUPAC3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one
SMILESCn1c2ccccc2c2cnn(-c3cnc(Cl)cn3)c(=O)c21
InChIInChI=1S/C15H10ClN5O/c1-20-11-5-3-2-4-9(11)10-6-19-21(15(22)14(10)20)13-8-17-12(16)7-18-13/h2-8H,1H3
InChIKeyQPQGUYNSEUSVQJ-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.32
Rot. Bonds1

About 3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one

3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one (PubChem CID 167949386) has the molecular formula C15H10ClN5O and a molecular weight of 311.73 g/mol. Its IUPAC name is 3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one
PubChem CID167949386
Molecular FormulaC15H10ClN5O
Molecular Weight311.73 g/mol
Exact Mass311.06
IUPAC Name3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one
SMILESCn1c2ccccc2c2cnn(-c3cnc(Cl)cn3)c(=O)c21
InChIInChI=1S/C15H10ClN5O/c1-20-11-5-3-2-4-9(11)10-6-19-21(15(22)14(10)20)13-8-17-12(16)7-18-13/h2-8H,1H3
InChIKeyQPQGUYNSEUSVQJ-UHFFFAOYSA-N
XLogP2.32
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one
CID 167843085
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)propanoic acid
CID 53212538
5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 139892501
7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
CID 141070390
5-methyl-3H-pyridazino[4,5-b]indol-4-one
CID 3056946
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-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 20891897
3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
CID 4903253
ethane;5-methyl-1-(2-oxopropyl)pyrazolo[4,5-c]quinolin-4-one
CID 90936622
11-methyl-3,4-dihydro-1H-indolo[3,2-h][1,5]naphthyridin-2-one
CID 102451719
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one (CID 167949386) is 3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one is Cn1c2ccccc2c2cnn(-c3cnc(Cl)cn3)c(=O)c21.
What is the InChIKey of 3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one?
The InChIKey is QPQGUYNSEUSVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O/c1-20-11-5-3-2-4-9(11)10-6-19-21(15(22)14(10)20)13-8-17-12(16)7-18-13/h2-8H,1H3.
What are the key properties of 3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one?
3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one has a molecular weight of 311.73 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 167949386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).