2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one

C23H20N2O2 — CID 18954659

IUPAC2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one
SMILESCC(C)(CO)N1C(=O)c2ccncc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C23H20N2O2/c1-22(2,14-26)25-21(27)17-11-12-24-13-20(17)23(25)18-9-5-3-7-15(18)16-8-4-6-10-19(16)23/h3-13,26H,14H2,1-2H3
InChIKeyFQEAWZYQSHDKNU-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.58
Rot. Bonds2

About 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one

2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one (PubChem CID 18954659) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one.

Molecular Properties

Compound Name2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one
PubChem CID18954659
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one
SMILESCC(C)(CO)N1C(=O)c2ccncc2C12c1ccccc1-c1ccccc12
InChIInChI=1S/C23H20N2O2/c1-22(2,14-26)25-21(27)17-11-12-24-13-20(17)23(25)18-9-5-3-7-15(18)16-8-4-6-10-19(16)23/h3-13,26H,14H2,1-2H3
InChIKeyFQEAWZYQSHDKNU-UHFFFAOYSA-N
XLogP3.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one with MolForge

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Related Compounds

2-[4-(Pyridin-4-ylmethyl)phenyl]isoindole-1,3-dione
CID 628785
N-(2-hydroxy-3-(isoindolin-2-yl)propyl)-3-(pyridin-2-yl)benzamide
CID 76902223
[3-[[Ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 118740225
N-[1'-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]pyridine-4-carboxamide
CID 118745635
[4-[(2-Hydroxyethylamino)methyl]phenyl]-(4-pyridin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 168288148
2-benzyl-4-pyridin-3-yl-3H-isoindol-1-one
CID 171352729
2-tert-butyl-3-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 101762973
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)isonicotinamide
CID 45191816
9-(Dibenzoylaminomethylene)-4-azafluorene
CID 129792956
9-(N-phenyl-N-benzoylaminomethylene)-4-azafluorene
CID 129793394
2,2-dimethylspiro[1H-indene-3,3'-2H-pyrrolo[3,4-c]pyridine]-1'-one
CID 148473539
3-[4-[2-(1,3-Dioxoisoindol-2-yl)ethyl]pyridin-1-ium-1-yl]propyl-trimethylazanium
CID 210246

Frequently Asked Questions

What is the IUPAC name of 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one?
The IUPAC name of 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one (CID 18954659) is 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one.
What is the SMILES notation for 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one?
The canonical SMILES for 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one is CC(C)(CO)N1C(=O)c2ccncc2C12c1ccccc1-c1ccccc12.
What is the InChIKey of 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one?
The InChIKey is FQEAWZYQSHDKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-22(2,14-26)25-21(27)17-11-12-24-13-20(17)23(25)18-9-5-3-7-15(18)16-8-4-6-10-19(16)23/h3-13,26H,14H2,1-2H3.
What are the key properties of 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one?
2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one has a molecular weight of 356.43 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(1-hydroxy-2-methylpropan-2-yl)spiro[fluorene-9,3'-pyrrolo[3,4-c]pyridine]-1'-one is sourced from PubChem (CID 18954659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).