4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine

C18H14FN5O — CID 85068853

IUPAC4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESCOc1cccc(-c2nnc3[nH]nc(N)c3c2-c2cccc(F)c2)c1
InChIInChI=1S/C18H14FN5O/c1-25-13-7-3-5-11(9-13)16-14(10-4-2-6-12(19)8-10)15-17(20)22-24-18(15)23-21-16/h2-9H,1H3,(H3,20,22,23,24)
InChIKeyNVEFXRVYEGUSHL-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.42
Rot. Bonds3

About 4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine

4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine (PubChem CID 85068853) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine
PubChem CID85068853
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine
SMILESCOc1cccc(-c2nnc3[nH]nc(N)c3c2-c2cccc(F)c2)c1
InChIInChI=1S/C18H14FN5O/c1-25-13-7-3-5-11(9-13)16-14(10-4-2-6-12(19)8-10)15-17(20)22-24-18(15)23-21-16/h2-9H,1H3,(H3,20,22,23,24)
InChIKeyNVEFXRVYEGUSHL-UHFFFAOYSA-N
XLogP3.42
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluorophenyl)-5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
CID 59735098
5-(4-fluorophenyl)-4-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-amine
CID 85068677
5-(4-fluorophenyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 61261996
5-(5-fluoro-3-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104785968
5-(5-fluoro-2-pyridinyl)-4-(3-methoxyphenyl)-1H-pyrazol-3-amine
CID 104638670
3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991
4-(3-fluorophenyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 43157693
4-(3-methoxyphenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1H-pyrazol-3-amine
CID 66477859
6-(3-methoxyphenyl)-1,2,4-triazin-5-amine
CID 116823084
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
7-fluoro-2-(3-methoxyphenyl)quinazolin-4-amine
CID 64983270
2,6-bis(3-fluorophenyl)-4-methoxypyridine
CID 46313611

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The IUPAC name of 4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine (CID 85068853) is 4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine.
What is the SMILES notation for 4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The canonical SMILES for 4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine is COc1cccc(-c2nnc3[nH]nc(N)c3c2-c2cccc(F)c2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine?
The InChIKey is NVEFXRVYEGUSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-25-13-7-3-5-11(9-13)16-14(10-4-2-6-12(19)8-10)15-17(20)22-24-18(15)23-21-16/h2-9H,1H3,(H3,20,22,23,24).
What are the key properties of 4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine?
4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine has a molecular weight of 335.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-(3-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridazin-3-amine is sourced from PubChem (CID 85068853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).