7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol

C24H27FN6O — CID 170630108

IUPAC7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol
SMILESCc1cnc2cc(-c3cc4ccn([C@H]5CC(C)(C)NC(C)(C)[C@H]5F)c4nn3)c(O)cc2n1
InChIInChI=1S/C24H27FN6O/c1-13-12-26-17-9-15(20(32)10-18(17)27-13)16-8-14-6-7-31(22(14)29-28-16)19-11-23(2,3)30-24(4,5)21(19)25/h6-10,12,19,21,30,32H,11H2,1-5H3/t19-,21-/m0/s1
InChIKeyUYVGBZIDIHABQM-FPOVZHCZSA-N
MW434.52 g/mol
LogP4.49
Rot. Bonds2

About 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol

7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol (PubChem CID 170630108) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol.

Molecular Properties

Compound Name7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol
PubChem CID170630108
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol
SMILESCc1cnc2cc(-c3cc4ccn([C@H]5CC(C)(C)NC(C)(C)[C@H]5F)c4nn3)c(O)cc2n1
InChIInChI=1S/C24H27FN6O/c1-13-12-26-17-9-15(20(32)10-18(17)27-13)16-8-14-6-7-31(22(14)29-28-16)19-11-23(2,3)30-24(4,5)21(19)25/h6-10,12,19,21,30,32H,11H2,1-5H3/t19-,21-/m0/s1
InChIKeyUYVGBZIDIHABQM-FPOVZHCZSA-N
XLogP4.49
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]isoquinolin-7-ol
CID 170630112
2-[7-[(3R,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-5-(triazol-1-yl)phenol
CID 167449832
5-[7-[(3R,4R)-3-fluoro-2,2-dimethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-2-methyl-1,3-benzothiazol-6-ol
CID 170630167
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
7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methylquinolin-6-ol
CID 170630055
6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-2-methyl-1,3-benzothiazol-5-ol
CID 170630123
2-[3-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 156699233
2-[3-[(3S,4R)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]triazolo[4,5-c]pyridazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 156699232
5-(5-fluoro-1H-pyrazol-4-yl)-2-[1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazolo[3,4-c]pyridazin-5-yl]phenol
CID 156699106
6-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-5-hydroxy-3H-1,3-benzoxazol-2-one
CID 170630141
7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-6-hydroxychromen-4-one
CID 170630058
4-[4-[3-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]triazolo[4,5-c]pyridazin-6-yl]-3-(methoxymethoxy)phenyl]-1-methylpyridin-2-one
CID 156699299

Frequently Asked Questions

What is the IUPAC name of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol?
The IUPAC name of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol (CID 170630108) is 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol.
What is the SMILES notation for 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol?
The canonical SMILES for 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol is Cc1cnc2cc(-c3cc4ccn([C@H]5CC(C)(C)NC(C)(C)[C@H]5F)c4nn3)c(O)cc2n1.
What is the InChIKey of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol?
The InChIKey is UYVGBZIDIHABQM-FPOVZHCZSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-13-12-26-17-9-15(20(32)10-18(17)27-13)16-8-14-6-7-31(22(14)29-28-16)19-11-23(2,3)30-24(4,5)21(19)25/h6-10,12,19,21,30,32H,11H2,1-5H3/t19-,21-/m0/s1.
What are the key properties of 7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol?
7-[7-[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol has a molecular weight of 434.52 g/mol, XLogP of 4.49, 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]pyrrolo[2,3-c]pyridazin-3-yl]-3-methylquinoxalin-6-ol is sourced from PubChem (CID 170630108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).