2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol

C17H15F2N3O — CID 174180353

IUPAC2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2cc(C3CCC3)n(C(F)F)c2nn1
InChIInChI=1S/C17H15F2N3O/c18-17(19)22-14(10-4-3-5-10)9-11-8-13(20-21-16(11)22)12-6-1-2-7-15(12)23/h1-2,6-10,17,23H,3-5H2
InChIKeyBBEVIICEBREDKY-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.47
Rot. Bonds3

About 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol

2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol (PubChem CID 174180353) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol
PubChem CID174180353
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2cc(C3CCC3)n(C(F)F)c2nn1
InChIInChI=1S/C17H15F2N3O/c18-17(19)22-14(10-4-3-5-10)9-11-8-13(20-21-16(11)22)12-6-1-2-7-15(12)23/h1-2,6-10,17,23H,3-5H2
InChIKeyBBEVIICEBREDKY-UHFFFAOYSA-N
XLogP4.47
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol 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

2-[2-cyclopropyl-6-(2-fluorophenyl)pyrimidin-4-yl]phenol
CID 174614512
2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol
CID 170350851
1-[3-[7-cyclopropyl-3-(2-hydroxyphenyl)cinnolin-6-yl]azetidin-1-yl]ethanone
CID 170351391
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]azetidin-1-yl]propan-1-one
CID 163374468
2-[5-(azetidin-3-yl)-7-(difluoromethyl)pyrrolo[3,2-c]pyridazin-3-yl]phenol
CID 170334226
1-[3-[3-(2-hydroxyphenyl)-7H-pyrrolo[2,3-c]pyridazin-6-yl]piperidin-1-yl]prop-2-en-1-one
CID 177023632
CID 170581407
CID 170581407
2-[6-(1-phenylethyl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]phenol
CID 163374057
4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-1-carboxylic acid
CID 137045885
2-[6-amino-5-(1-tert-butylpiperidin-3-yl)oxypyridazin-3-yl]phenol
CID 137045913
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)phenol;hydrochloride
CID 142686981
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961

Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol (CID 174180353) is 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol is Oc1ccccc1-c1cc2cc(C3CCC3)n(C(F)F)c2nn1.
What is the InChIKey of 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is BBEVIICEBREDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c18-17(19)22-14(10-4-3-5-10)9-11-8-13(20-21-16(11)22)12-6-1-2-7-15(12)23/h1-2,6-10,17,23H,3-5H2.
What are the key properties of 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol?
2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 315.32 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclobutyl-7-(difluoromethyl)pyrrolo[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 174180353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).