6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one

C14H16N4O — CID 50981208

IUPAC6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCC(c1ccnn1C)N1Cc2ncccc2C1=O
InChIInChI=1S/C14H16N4O/c1-3-12(13-6-8-16-17(13)2)18-9-11-10(14(18)19)5-4-7-15-11/h4-8,12H,3,9H2,1-2H3
InChIKeyVZPFIVAENPTWIJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.92
Rot. Bonds3

About 6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one

6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50981208) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50981208
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCC(c1ccnn1C)N1Cc2ncccc2C1=O
InChIInChI=1S/C14H16N4O/c1-3-12(13-6-8-16-17(13)2)18-9-11-10(14(18)19)5-4-7-15-11/h4-8,12H,3,9H2,1-2H3
InChIKeyVZPFIVAENPTWIJ-UHFFFAOYSA-N
XLogP1.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2R)-1-hydroxy-3-methylbutan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50955652
6-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95119421
6-[(4-methylphenyl)-pyridin-4-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50975890
6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50950727
methyl (2R)-4-methylsulfanyl-2-(5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl)butanoate
CID 95135313
6-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 95133154
6-[(1R)-1-[2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 171528186
6-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50955034
(2-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105148585
6-[[4-(1-methylindazol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 175615945
2-[2-(dimethylamino)-1-phenylethyl]-5-(2-methylpyrazol-3-yl)-3H-isoindol-1-one
CID 71555267
6-[(3-methyl-1-benzofuran-2-yl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 50969145

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50981208) is 6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one is CCC(c1ccnn1C)N1Cc2ncccc2C1=O.
What is the InChIKey of 6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is VZPFIVAENPTWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-12(13-6-8-16-17(13)2)18-9-11-10(14(18)19)5-4-7-15-11/h4-8,12H,3,9H2,1-2H3.
What are the key properties of 6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 256.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methylpyrazol-3-yl)propyl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50981208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).