6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C19H18BrFN2O — CID 171528144

IUPAC6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1Cc1c(F)cc(Br)cc1C1CCCC1
InChIInChI=1S/C19H18BrFN2O/c20-13-8-15(12-4-1-2-5-12)16(17(21)9-13)10-23-11-18-14(19(23)24)6-3-7-22-18/h3,6-9,12H,1-2,4-5,10-11H2
InChIKeyWHYIOFXSDJIZSZ-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.80
Rot. Bonds3

About 6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 171528144) has the molecular formula C19H18BrFN2O and a molecular weight of 389.27 g/mol. Its IUPAC name is 6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID171528144
Molecular FormulaC19H18BrFN2O
Molecular Weight389.27 g/mol
Exact Mass388.06
IUPAC Name6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESO=C1c2cccnc2CN1Cc1c(F)cc(Br)cc1C1CCCC1
InChIInChI=1S/C19H18BrFN2O/c20-13-8-15(12-4-1-2-5-12)16(17(21)9-13)10-23-11-18-14(19(23)24)6-3-7-22-18/h3,6-9,12H,1-2,4-5,10-11H2
InChIKeyWHYIOFXSDJIZSZ-UHFFFAOYSA-N
XLogP4.80
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171527956
6-[[2-cyclopropyl-6-fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615729
6-[[2,6-difluoro-4-(2-methylpyrazolo[1,5-a]pyridin-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 166076683
6-[[2-cyclopropyl-4-(7-cyclopropyloxy-2-methylindazol-4-yl)-6-fluorophenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615917
6-[[2-cyclopentyl-6-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 171527988
6-[[2,6-difluoro-4-(3-methylbenzimidazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 71555067
6-[(2-fluoro-6-iodo-4-isoquinolin-5-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 163899190
6-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171527982
7-fluoro-3-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]-1H-quinolin-2-one
CID 50951879
6-[[2-chloro-6-cyclopropyl-4-[7-(2-hydroxypropan-2-yl)-2-methylindazol-4-yl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528410
6-[[2,5-difluoro-4-[4-(2-hydroxypropan-2-yl)phenyl]phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528493
(5R)-5-(4-fluorophenyl)-5-[(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methyl]imidazolidine-2,4-dione
CID 143512922

Frequently Asked Questions

What is the IUPAC name of 6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 171528144) is 6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is O=C1c2cccnc2CN1Cc1c(F)cc(Br)cc1C1CCCC1.
What is the InChIKey of 6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is WHYIOFXSDJIZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O/c20-13-8-15(12-4-1-2-5-12)16(17(21)9-13)10-23-11-18-14(19(23)24)6-3-7-22-18/h3,6-9,12H,1-2,4-5,10-11H2.
What are the key properties of 6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 389.27 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-bromo-2-cyclopentyl-6-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 171528144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).