1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one

C10H13N3O — CID 10535726

IUPAC1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one
SMILESCCn1c(C)nc2[nH]c(C)cc(=O)c21
InChIInChI=1S/C10H13N3O/c1-4-13-7(3)12-10-9(13)8(14)5-6(2)11-10/h5H,4H2,1-3H3,(H,11,14)
InChIKeyAQGCTZRLNZUMRD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.36
Rot. Bonds1

About 1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one

1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one (PubChem CID 10535726) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one.

Molecular Properties

Compound Name1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one
PubChem CID10535726
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one
SMILESCCn1c(C)nc2[nH]c(C)cc(=O)c21
InChIInChI=1S/C10H13N3O/c1-4-13-7(3)12-10-9(13)8(14)5-6(2)11-10/h5H,4H2,1-3H3,(H,11,14)
InChIKeyAQGCTZRLNZUMRD-UHFFFAOYSA-N
XLogP1.36
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one?
The IUPAC name of 1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one (CID 10535726) is 1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one.
What is the SMILES notation for 1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one?
The canonical SMILES for 1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one is CCn1c(C)nc2[nH]c(C)cc(=O)c21.
What is the InChIKey of 1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one?
The InChIKey is AQGCTZRLNZUMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-13-7(3)12-10-9(13)8(14)5-6(2)11-10/h5H,4H2,1-3H3,(H,11,14).
What are the key properties of 1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one?
1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one has a molecular weight of 191.23 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,5-dimethyl-4H-imidazo[4,5-b]pyridin-7-one is sourced from PubChem (CID 10535726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).