2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one

C10H13N3O — CID 167204841

IUPAC2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCN1Cc2nc(N)ccc2C1=O
InChIInChI=1S/C10H13N3O/c1-2-5-13-6-8-7(10(13)14)3-4-9(11)12-8/h3-4H,2,5-6H2,1H3,(H2,11,12)
InChIKeyHEPRZCNMASEKAF-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.03
Rot. Bonds2

About 2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one

2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one (PubChem CID 167204841) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one
PubChem CID167204841
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one
SMILESCCCN1Cc2nc(N)ccc2C1=O
InChIInChI=1S/C10H13N3O/c1-2-5-13-6-8-7(10(13)14)3-4-9(11)12-8/h3-4H,2,5-6H2,1H3,(H2,11,12)
InChIKeyHEPRZCNMASEKAF-UHFFFAOYSA-N
XLogP1.03
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one (CID 167204841) is 2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one is CCCN1Cc2nc(N)ccc2C1=O.
What is the InChIKey of 2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one?
The InChIKey is HEPRZCNMASEKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-5-13-6-8-7(10(13)14)3-4-9(11)12-8/h3-4H,2,5-6H2,1H3,(H2,11,12).
What are the key properties of 2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one?
2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one has a molecular weight of 191.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-propyl-7H-pyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 167204841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).