3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid

C19H22N4O3 — CID 69186448

IUPAC3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
SMILESCCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(COC)nc21
InChIInChI=1S/C19H22N4O3/c1-4-23-19-15(10-21-23)18(13-7-12(2)8-20-9-13)14(5-6-17(24)25)16(22-19)11-26-3/h7-10H,4-6,11H2,1-3H3,(H,24,25)
InChIKeyXJIAJHILOLMPRG-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.99
Rot. Bonds7

About 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid

3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid (PubChem CID 69186448) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
PubChem CID69186448
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid
SMILESCCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(COC)nc21
InChIInChI=1S/C19H22N4O3/c1-4-23-19-15(10-21-23)18(13-7-12(2)8-20-9-13)14(5-6-17(24)25)16(22-19)11-26-3/h7-10H,4-6,11H2,1-3H3,(H,24,25)
InChIKeyXJIAJHILOLMPRG-UHFFFAOYSA-N
XLogP2.99
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
The IUPAC name of 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid (CID 69186448) is 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
The canonical SMILES for 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid is CCn1ncc2c(-c3cncc(C)c3)c(CCC(=O)O)c(COC)nc21.
What is the InChIKey of 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
The InChIKey is XJIAJHILOLMPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-4-23-19-15(10-21-23)18(13-7-12(2)8-20-9-13)14(5-6-17(24)25)16(22-19)11-26-3/h7-10H,4-6,11H2,1-3H3,(H,24,25).
What are the key properties of 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid?
3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-ethyl-6-(methoxymethyl)-4-(5-methyl-3-pyridinyl)pyrazolo[3,4-b]pyridin-5-yl]propanoic acid is sourced from PubChem (CID 69186448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).