6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one

C14H20N4O — CID 143512867

IUPAC6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCC1(C)NCNC1(C)CN1Cc2cccnc2C1=O
InChIInChI=1S/C14H20N4O/c1-13(2)14(3,17-9-16-13)8-18-7-10-5-4-6-15-11(10)12(18)19/h4-6,16-17H,7-9H2,1-3H3
InChIKeyABJAZEAIOPLRNS-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.73
Rot. Bonds2

About 6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one

6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one (PubChem CID 143512867) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one.

Molecular Properties

Compound Name6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
PubChem CID143512867
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
SMILESCC1(C)NCNC1(C)CN1Cc2cccnc2C1=O
InChIInChI=1S/C14H20N4O/c1-13(2)14(3,17-9-16-13)8-18-7-10-5-4-6-15-11(10)12(18)19/h4-6,16-17H,7-9H2,1-3H3
InChIKeyABJAZEAIOPLRNS-UHFFFAOYSA-N
XLogP0.73
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The IUPAC name of 6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one (CID 143512867) is 6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one.
What is the SMILES notation for 6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The canonical SMILES for 6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one is CC1(C)NCNC1(C)CN1Cc2cccnc2C1=O.
What is the InChIKey of 6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
The InChIKey is ABJAZEAIOPLRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-13(2)14(3,17-9-16-13)8-18-7-10-5-4-6-15-11(10)12(18)19/h4-6,16-17H,7-9H2,1-3H3.
What are the key properties of 6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one?
6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one has a molecular weight of 260.34 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5,5-trimethylimidazolidin-4-yl)methyl]-5H-pyrrolo[3,4-b]pyridin-7-one is sourced from PubChem (CID 143512867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).