7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one

C16H11ClN4O — CID 141070390

IUPAC7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
SMILESCn1c2cc(Cl)ccc2c2cnn(-c3cccnc3)c(=O)c21
InChIInChI=1S/C16H11ClN4O/c1-20-14-7-10(17)4-5-12(14)13-9-19-21(16(22)15(13)20)11-3-2-6-18-8-11/h2-9H,1H3
InChIKeyVASFIIZTOSDXME-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.93
Rot. Bonds1

About 7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one

7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one (PubChem CID 141070390) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
PubChem CID141070390
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
SMILESCn1c2cc(Cl)ccc2c2cnn(-c3cccnc3)c(=O)c21
InChIInChI=1S/C16H11ClN4O/c1-20-14-7-10(17)4-5-12(14)13-9-19-21(16(22)15(13)20)11-3-2-6-18-8-11/h2-9H,1H3
InChIKeyVASFIIZTOSDXME-UHFFFAOYSA-N
XLogP2.93
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-5-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
CID 10288963
4,5-dichloro-2-pyridin-3-ylpyridazin-3-one
CID 130501966
3-(4-methoxyphenyl)-5,7-dimethylpyridazino[4,5-b]indol-4-one
CID 4903253
3-amino-7-chloro-4-(methylamino)-1-pyridin-3-ylquinolin-2-one
CID 170551427
5,9-dimethyl-3-phenylpyridazino[4,5-b]indol-4-one
CID 139892501
3-(5-chloropyrazin-2-yl)-5-methylpyridazino[4,5-b]indol-4-one
CID 167949386
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one
CID 171514511
methyl 2-(7-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indol-1-yl)acetate;hydrochloride
CID 158867076
7-chloro-5-hydroxy-3-(4-methoxyphenyl)pyridazino[4,5-b]quinoline-4,10-dione
CID 67695030
2-[7-chloro-5-methyl-3-(6-methyl-3-pyridinyl)-4-oxopyridazino[4,5-b]indol-1-yl]-N,N-dimethylacetamide
CID 10150899
7-chloro-5-pyridin-3-yl-2-(pyridin-3-ylmethyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525205
3-(5-chloro-4-methylpyrazol-1-yl)pyridine
CID 19757098

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one (CID 141070390) is 7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one is Cn1c2cc(Cl)ccc2c2cnn(-c3cccnc3)c(=O)c21.
What is the InChIKey of 7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one?
The InChIKey is VASFIIZTOSDXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c1-20-14-7-10(17)4-5-12(14)13-9-19-21(16(22)15(13)20)11-3-2-6-18-8-11/h2-9H,1H3.
What are the key properties of 7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one?
7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one has a molecular weight of 310.74 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 141070390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).