7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol

C23H27FN6O — CID 170630098

IUPAC7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol
SMILESCC1(C)C[C@H](N2CCc3cc(-c4cc5nccnc5cc4O)nnc32)[C@H](F)C(C)(C)N1
InChIInChI=1S/C23H27FN6O/c1-22(2)12-18(20(24)23(3,4)29-22)30-8-5-13-9-15(27-28-21(13)30)14-10-16-17(11-19(14)31)26-7-6-25-16/h6-7,9-11,18,20,29,31H,5,8,12H2,1-4H3/t18-,20-/m0/s1
InChIKeyZWQKRXSJIQWPGL-ICSRJNTNSA-N
MW422.51 g/mol
LogP3.41
Rot. Bonds2

About 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol

7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol (PubChem CID 170630098) has the molecular formula C23H27FN6O and a molecular weight of 422.51 g/mol. Its IUPAC name is 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol.

Molecular Properties

Compound Name7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol
PubChem CID170630098
Molecular FormulaC23H27FN6O
Molecular Weight422.51 g/mol
Exact Mass422.22
IUPAC Name7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol
SMILESCC1(C)C[C@H](N2CCc3cc(-c4cc5nccnc5cc4O)nnc32)[C@H](F)C(C)(C)N1
InChIInChI=1S/C23H27FN6O/c1-22(2)12-18(20(24)23(3,4)29-22)30-8-5-13-9-15(27-28-21(13)30)14-10-16-17(11-19(14)31)26-7-6-25-16/h6-7,9-11,18,20,29,31H,5,8,12H2,1-4H3/t18-,20-/m0/s1
InChIKeyZWQKRXSJIQWPGL-ICSRJNTNSA-N
XLogP3.41
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol?
The IUPAC name of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol (CID 170630098) is 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol.
What is the SMILES notation for 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol?
The canonical SMILES for 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol is CC1(C)C[C@H](N2CCc3cc(-c4cc5nccnc5cc4O)nnc32)[C@H](F)C(C)(C)N1.
What is the InChIKey of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol?
The InChIKey is ZWQKRXSJIQWPGL-ICSRJNTNSA-N. The full InChI is InChI=1S/C23H27FN6O/c1-22(2)12-18(20(24)23(3,4)29-22)30-8-5-13-9-15(27-28-21(13)30)14-10-16-17(11-19(14)31)26-7-6-25-16/h6-7,9-11,18,20,29,31H,5,8,12H2,1-4H3/t18-,20-/m0/s1.
What are the key properties of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol?
7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol has a molecular weight of 422.51 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]quinoxalin-6-ol is sourced from PubChem (CID 170630098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).