3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine

C24H28F2N6 — CID 156699234

IUPAC3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine
SMILESCC1(C)CC(N2CCc3cc(-c4ccc(-c5cn[nH]c5)c(F)c4F)nnc32)CC(C)(C)N1
InChIInChI=1S/C24H28F2N6/c1-23(2)10-16(11-24(3,4)31-23)32-8-7-14-9-19(29-30-22(14)32)18-6-5-17(20(25)21(18)26)15-12-27-28-13-15/h5-6,9,12-13,16,31H,7-8,10-11H2,1-4H3,(H,27,28)
InChIKeyBAVYCCNBKZJTQG-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.48
Rot. Bonds3

About 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine

3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine (PubChem CID 156699234) has the molecular formula C24H28F2N6 and a molecular weight of 438.53 g/mol. Its IUPAC name is 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine.

Molecular Properties

Compound Name3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine
PubChem CID156699234
Molecular FormulaC24H28F2N6
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine
SMILESCC1(C)CC(N2CCc3cc(-c4ccc(-c5cn[nH]c5)c(F)c4F)nnc32)CC(C)(C)N1
InChIInChI=1S/C24H28F2N6/c1-23(2)10-16(11-24(3,4)31-23)32-8-7-14-9-19(29-30-22(14)32)18-6-5-17(20(25)21(18)26)15-12-27-28-13-15/h5-6,9,12-13,16,31H,7-8,10-11H2,1-4H3,(H,27,28)
InChIKeyBAVYCCNBKZJTQG-UHFFFAOYSA-N
XLogP4.48
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine with MolForge

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Related Compounds

5-(6-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl)-1H-indazole
CID 46891529
6-Fluoro-1-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]piperidin-4-yl]-2,3-dihydroindole
CID 71571569
1-(1-(6-(1-ethyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-fluoroindoline
CID 76311109
1-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-(trifluoromethyl)indoline
CID 76314721
6-methyl-1-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 76325613
4-fluoro-1-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 76329179
6-fluoro-1-(1-(6-(1-propyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 76332841
5-fluoro-1-(1-(6-(1-methyl-1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)indoline
CID 76332843
1-(1-(6-(1H-pyrazol-4-yl)pyridazin-3-yl)piperidin-4-yl)-6-fluoroindoline
CID 89613944
N-cyclopentyl-2-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyridin-7-amine
CID 44439550
3-[4-(3-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine
CID 56702425
3-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-6-methylpyridazine
CID 56707458

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine?
The IUPAC name of 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine (CID 156699234) is 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine.
What is the SMILES notation for 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine?
The canonical SMILES for 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine is CC1(C)CC(N2CCc3cc(-c4ccc(-c5cn[nH]c5)c(F)c4F)nnc32)CC(C)(C)N1.
What is the InChIKey of 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine?
The InChIKey is BAVYCCNBKZJTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6/c1-23(2)10-16(11-24(3,4)31-23)32-8-7-14-9-19(29-30-22(14)32)18-6-5-17(20(25)21(18)26)15-12-27-28-13-15/h5-6,9,12-13,16,31H,7-8,10-11H2,1-4H3,(H,27,28).
What are the key properties of 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine?
3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine has a molecular weight of 438.53 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-difluoro-4-(1H-pyrazol-4-yl)phenyl]-7-(2,2,6,6-tetramethylpiperidin-4-yl)-5,6-dihydropyrrolo[2,3-c]pyridazine is sourced from PubChem (CID 156699234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).