7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one

C24H19FN4O3 — CID 162683538

IUPAC7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
SMILESCOc1cccc(Cn2ncc3c4ccc(Oc5cccc(F)n5)cc4n(C)c3c2=O)c1
InChIInChI=1S/C24H19FN4O3/c1-28-20-12-17(32-22-8-4-7-21(25)27-22)9-10-18(20)19-13-26-29(24(30)23(19)28)14-15-5-3-6-16(11-15)31-2/h3-13H,14H2,1-2H3
InChIKeyLXTCCHZLSJLVLF-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.27
Rot. Bonds5

About 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one

7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one (PubChem CID 162683538) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
PubChem CID162683538
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
SMILESCOc1cccc(Cn2ncc3c4ccc(Oc5cccc(F)n5)cc4n(C)c3c2=O)c1
InChIInChI=1S/C24H19FN4O3/c1-28-20-12-17(32-22-8-4-7-21(25)27-22)9-10-18(20)19-13-26-29(24(30)23(19)28)14-15-5-3-6-16(11-15)31-2/h3-13H,14H2,1-2H3
InChIKeyLXTCCHZLSJLVLF-UHFFFAOYSA-N
XLogP4.27
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(3-methoxyphenyl)methyl]-5-methyl-8-(trifluoromethyl)pyridazino[4,5-b]indol-4-one
CID 154681762
3-[(3-methoxyphenyl)methyl]-5,9-dimethylpyridazino[4,5-b]indol-4-one
CID 154681916
3-[[4-[[3-[(2-fluorophenyl)methyl]-8-[(6-fluoro-2-pyridinyl)oxy]-4-oxopyridazino[4,5-b]indol-5-yl]methyl]-6-methyl-2-pyridinyl]methyl]-8-methoxy-5-methylpyridazino[4,5-b]indol-4-one
CID 170412072
7-hydroxy-3-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683757
4-bromo-10-[(3-methoxyphenyl)methyl]-7-methyl-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 44543602
10-[(3-methoxyphenyl)methyl]-7-methyl-4-[(R)-methylsulfinyl]-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 93473084
3-(1H-indazol-4-ylmethyl)-7-[(4-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 162683822
tert-butyl N-[3-[(8-methoxy-5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)methyl]phenyl]carbamate
CID 162683615
3-[(3-aminophenyl)methyl]-5-methyl-7-methylsulfanylpyridazino[4,5-b]indol-4-one
CID 162683493
7-(2-fluorophenoxy)-3-(1H-indazol-4-ylmethyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 162683809
4,5-dibromo-2-[(3-methoxyphenyl)methyl]pyridazin-3-one
CID 115576901
7-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]pyrazolo[5,4-d]triazin-4-one
CID 1444398

Frequently Asked Questions

What is the IUPAC name of 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one (CID 162683538) is 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one is COc1cccc(Cn2ncc3c4ccc(Oc5cccc(F)n5)cc4n(C)c3c2=O)c1.
What is the InChIKey of 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one?
The InChIKey is LXTCCHZLSJLVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-28-20-12-17(32-22-8-4-7-21(25)27-22)9-10-18(20)19-13-26-29(24(30)23(19)28)14-15-5-3-6-16(11-15)31-2/h3-13H,14H2,1-2H3.
What are the key properties of 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one?
7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one has a molecular weight of 430.44 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-fluoro-2-pyridinyl)oxy]-3-[(3-methoxyphenyl)methyl]-5-methylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 162683538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).