2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid

C12H15N3O3 — CID 19622959

IUPAC2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid
SMILESCCn1nc(C)c2c(C)cc(=O)n(CC(=O)O)c21
InChIInChI=1S/C12H15N3O3/c1-4-15-12-11(8(3)13-15)7(2)5-9(16)14(12)6-10(17)18/h5H,4,6H2,1-3H3,(H,17,18)
InChIKeyQVNSZDBTENWFCQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.92
Rot. Bonds3

About 2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid

2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid (PubChem CID 19622959) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid.

Molecular Properties

Compound Name2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid
PubChem CID19622959
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid
SMILESCCn1nc(C)c2c(C)cc(=O)n(CC(=O)O)c21
InChIInChI=1S/C12H15N3O3/c1-4-15-12-11(8(3)13-15)7(2)5-9(16)14(12)6-10(17)18/h5H,4,6H2,1-3H3,(H,17,18)
InChIKeyQVNSZDBTENWFCQ-UHFFFAOYSA-N
XLogP0.92
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The IUPAC name of 2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid (CID 19622959) is 2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid.
What is the SMILES notation for 2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The canonical SMILES for 2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid is CCn1nc(C)c2c(C)cc(=O)n(CC(=O)O)c21.
What is the InChIKey of 2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
The InChIKey is QVNSZDBTENWFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-4-15-12-11(8(3)13-15)7(2)5-9(16)14(12)6-10(17)18/h5H,4,6H2,1-3H3,(H,17,18).
What are the key properties of 2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid?
2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid has a molecular weight of 249.27 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetic acid is sourced from PubChem (CID 19622959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).