7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine

C27H21FN6O — CID 170334771

IUPAC7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)c(-c4cc5cn(-c6ccccc6)nc5cc4OC)c3)cnnc21
InChIInChI=1S/C27H21FN6O/c1-3-33-16-29-26-22(14-30-31-27(26)33)17-9-10-23(28)20(11-17)21-12-18-15-34(19-7-5-4-6-8-19)32-24(18)13-25(21)35-2/h4-16H,3H2,1-2H3
InChIKeyUMECOACKJRTEJA-UHFFFAOYSA-N
MW464.50 g/mol
LogP5.67
Rot. Bonds5

About 7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine

7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine (PubChem CID 170334771) has the molecular formula C27H21FN6O and a molecular weight of 464.50 g/mol. Its IUPAC name is 7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine.

Molecular Properties

Compound Name7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine
PubChem CID170334771
Molecular FormulaC27H21FN6O
Molecular Weight464.50 g/mol
Exact Mass464.18
IUPAC Name7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine
SMILESCCn1cnc2c(-c3ccc(F)c(-c4cc5cn(-c6ccccc6)nc5cc4OC)c3)cnnc21
InChIInChI=1S/C27H21FN6O/c1-3-33-16-29-26-22(14-30-31-27(26)33)17-9-10-23(28)20(11-17)21-12-18-15-34(19-7-5-4-6-8-19)32-24(18)13-25(21)35-2/h4-16H,3H2,1-2H3
InChIKeyUMECOACKJRTEJA-UHFFFAOYSA-N
XLogP5.67
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.50
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

DNA-PK-IN-11
CID 56847587
Methyl substituted pyrazole, 27
CID 23648674
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357
3-(4-fluoro-3-methoxyphenyl)-7-(2-methyl-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879520
4-(azetidin-1-yl)-5-[5-(4-methoxy-2-methylphenyl)-1-methyl-1H-pyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181883
4-(Azetidin-1-yl)-5-[5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazol-4-yl]-7-methylimidazo[5,1-f][1,2,4]triazine
CID 68181996
(1E)-1-[(2-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895689
(1E)-1-[(3-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895690
(1E)-1-[(4-fluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895691
(1E)-1-[(3,4-difluorophenyl)methylidene]-2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 91895692

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine?
The IUPAC name of 7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine (CID 170334771) is 7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine.
What is the SMILES notation for 7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine?
The canonical SMILES for 7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine is CCn1cnc2c(-c3ccc(F)c(-c4cc5cn(-c6ccccc6)nc5cc4OC)c3)cnnc21.
What is the InChIKey of 7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine?
The InChIKey is UMECOACKJRTEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN6O/c1-3-33-16-29-26-22(14-30-31-27(26)33)17-9-10-23(28)20(11-17)21-12-18-15-34(19-7-5-4-6-8-19)32-24(18)13-25(21)35-2/h4-16H,3H2,1-2H3.
What are the key properties of 7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine?
7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine has a molecular weight of 464.50 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[4-fluoro-3-(6-methoxy-2-phenylindazol-5-yl)phenyl]imidazo[4,5-c]pyridazine is sourced from PubChem (CID 170334771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).