3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one

C7H7N3O — CID 53412536

IUPAC3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
SMILESNc1c[nH]c2c(=O)cc[nH]c12
InChIInChI=1S/C7H7N3O/c8-4-3-10-7-5(11)1-2-9-6(4)7/h1-3,10H,8H2,(H,9,11)
InChIKeyCIGWMHKTNPIDKS-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.44
Rot. Bonds

About 3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one

3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one (PubChem CID 53412536) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one.

Molecular Properties

Compound Name3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
PubChem CID53412536
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
SMILESNc1c[nH]c2c(=O)cc[nH]c12
InChIInChI=1S/C7H7N3O/c8-4-3-10-7-5(11)1-2-9-6(4)7/h1-3,10H,8H2,(H,9,11)
InChIKeyCIGWMHKTNPIDKS-UHFFFAOYSA-N
XLogP0.44
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
The IUPAC name of 3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one (CID 53412536) is 3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one.
What is the SMILES notation for 3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
The canonical SMILES for 3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one is Nc1c[nH]c2c(=O)cc[nH]c12.
What is the InChIKey of 3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
The InChIKey is CIGWMHKTNPIDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-4-3-10-7-5(11)1-2-9-6(4)7/h1-3,10H,8H2,(H,9,11).
What are the key properties of 3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one?
3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one has a molecular weight of 149.15 g/mol, XLogP of 0.44, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,4-dihydropyrrolo[3,2-b]pyridin-7-one is sourced from PubChem (CID 53412536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).