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

C15H18N4O — CID 50950727

IUPAC6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(C)n(CC(C)N2Cc3ncccc3C2=O)n1
InChIInChI=1S/C15H18N4O/c1-10-7-11(2)19(17-10)8-12(3)18-9-14-13(15(18)20)5-4-6-16-14/h4-7,12H,8-9H2,1-3H3
InChIKeyVPGNSLYNXVKGCA-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.94
Rot. Bonds3

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

6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 50950727) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID50950727
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc(C)n(CC(C)N2Cc3ncccc3C2=O)n1
InChIInChI=1S/C15H18N4O/c1-10-7-11(2)19(17-10)8-12(3)18-9-14-13(15(18)20)5-4-6-16-14/h4-7,12H,8-9H2,1-3H3
InChIKeyVPGNSLYNXVKGCA-UHFFFAOYSA-N
XLogP1.94
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one (CID 50950727) is 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is Cc1cc(C)n(CC(C)N2Cc3ncccc3C2=O)n1.
What is the InChIKey of 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is VPGNSLYNXVKGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-7-11(2)19(17-10)8-12(3)18-9-14-13(15(18)20)5-4-6-16-14/h4-7,12H,8-9H2,1-3H3.
What are the key properties of 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one?
6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 270.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 50950727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).