3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine

C16H18FN3 — CID 155197279

IUPAC3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine
SMILESCN1CC(C)(C)c2nnc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C16H18FN3/c1-16(2)10-20(3)14-9-13(18-19-15(14)16)8-11-4-6-12(17)7-5-11/h4-7,9H,8,10H2,1-3H3
InChIKeyVDRGQFGBKSDFGE-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.93
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine

3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine (PubChem CID 155197279) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine
PubChem CID155197279
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine
SMILESCN1CC(C)(C)c2nnc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C16H18FN3/c1-16(2)10-20(3)14-9-13(18-19-15(14)16)8-11-4-6-12(17)7-5-11/h4-7,9H,8,10H2,1-3H3
InChIKeyVDRGQFGBKSDFGE-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-fluorophenyl)-5-methyl-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 44383830
4-[(2-Fluorophenyl)methyl]-1-[2-(3-methylpyrazol-1-yl)ethyl]piperidine
CID 28357663
(2,5-Dimethyl-3-phenyl-2H-pyrazolo[4,3-b]pyridin-7-yl)-dipropyl-amine
CID 44341455
1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-(1-methylethyl)-1-(phenylmethyl)-
CID 44385342
3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263098
1h-Pyrazolo[4,3-c]pyridine,5-cyclopentyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydro-1-(phenylmethyl)-,hydrochloride
CID 45263110
1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45263126
3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
CID 45265725
2-Phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 57127490
2-(3-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814125
1-[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]-4-(4-fluorobenzyl)piperidine
CID 28373543
2-[3-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 71814123

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine (CID 155197279) is 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine is CN1CC(C)(C)c2nnc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine?
The InChIKey is VDRGQFGBKSDFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3/c1-16(2)10-20(3)14-9-13(18-19-15(14)16)8-11-4-6-12(17)7-5-11/h4-7,9H,8,10H2,1-3H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine?
3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine has a molecular weight of 271.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5,7,7-trimethyl-6H-pyrrolo[3,2-c]pyridazine is sourced from PubChem (CID 155197279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).