8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one

C16H11FN4O — CID 167843085

IUPAC8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one
SMILESCn1c2ccc(F)cc2c2cnn(-c3ccccn3)c(=O)c21
InChIInChI=1S/C16H11FN4O/c1-20-13-6-5-10(17)8-11(13)12-9-19-21(16(22)15(12)20)14-4-2-3-7-18-14/h2-9H,1H3
InChIKeyIPEOKPBWYOREJY-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.41
Rot. Bonds1

About 8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one

8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one (PubChem CID 167843085) has the molecular formula C16H11FN4O and a molecular weight of 294.29 g/mol. Its IUPAC name is 8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one
PubChem CID167843085
Molecular FormulaC16H11FN4O
Molecular Weight294.29 g/mol
Exact Mass294.09
IUPAC Name8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one
SMILESCn1c2ccc(F)cc2c2cnn(-c3ccccn3)c(=O)c21
InChIInChI=1S/C16H11FN4O/c1-20-13-6-5-10(17)8-11(13)12-9-19-21(16(22)15(12)20)14-4-2-3-7-18-14/h2-9H,1H3
InChIKeyIPEOKPBWYOREJY-UHFFFAOYSA-N
XLogP2.41
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one (CID 167843085) is 8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one is Cn1c2ccc(F)cc2c2cnn(-c3ccccn3)c(=O)c21.
What is the InChIKey of 8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one?
The InChIKey is IPEOKPBWYOREJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O/c1-20-13-6-5-10(17)8-11(13)12-9-19-21(16(22)15(12)20)14-4-2-3-7-18-14/h2-9H,1H3.
What are the key properties of 8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one?
8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one has a molecular weight of 294.29 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methyl-3-pyridin-2-ylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 167843085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).