8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one

C12H10FN3O2 — CID 168870381

IUPAC8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one
SMILESCOc1cc2c(cc1F)c1cn[nH]c(=O)c1n2C
InChIInChI=1S/C12H10FN3O2/c1-16-9-4-10(18-2)8(13)3-6(9)7-5-14-15-12(17)11(7)16/h3-5H,1-2H3,(H,15,17)
InChIKeyXLBZSNRBXQCYMK-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.56
Rot. Bonds1

About 8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one

8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one (PubChem CID 168870381) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one
PubChem CID168870381
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one
SMILESCOc1cc2c(cc1F)c1cn[nH]c(=O)c1n2C
InChIInChI=1S/C12H10FN3O2/c1-16-9-4-10(18-2)8(13)3-6(9)7-5-14-15-12(17)11(7)16/h3-5H,1-2H3,(H,15,17)
InChIKeyXLBZSNRBXQCYMK-UHFFFAOYSA-N
XLogP1.56
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dimethyl-3H-pyridazino[4,5-b]indol-4-one
CID 162683751
5-methyl-3H-pyridazino[4,5-b]indol-4-one
CID 3056946
7-methyl-4-methylsulfanyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 156656208
5,7-dimethoxy-2H-phthalazin-1-one
CID 21138693
4-[(4-fluoro-1H-pyrazol-5-yl)methyl]-7-methyl-3-thia-5,7,10,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 149329400
4-benzyl-7-methyl-3,4,7,10,11-pentazatricyclo[6.4.0.02,6]dodeca-1(8),2,5,11-tetraen-9-one
CID 154681825
3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one
CID 141114307
2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)benzaldehyde
CID 164719945
6,7-difluoro-1-methoxy-10-methylacridin-9-one
CID 102061435
5-ethyl-4-methoxy-1H-pyridazin-6-one
CID 153358157
7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 162683809
6,7-dimethoxy-1H-cinnolin-4-one
CID 12932777

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one?
The IUPAC name of 8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one (CID 168870381) is 8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one is COc1cc2c(cc1F)c1cn[nH]c(=O)c1n2C.
What is the InChIKey of 8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one?
The InChIKey is XLBZSNRBXQCYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-16-9-4-10(18-2)8(13)3-6(9)7-5-14-15-12(17)11(7)16/h3-5H,1-2H3,(H,15,17).
What are the key properties of 8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one?
8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one has a molecular weight of 247.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-methoxy-5-methyl-3H-pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 168870381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).