3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid

C18H19N3O2 — CID 16775415

IUPAC3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid
SMILESCc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)O
InChIInChI=1S/C18H19N3O2/c1-11-15(9-10-16(22)23)12(2)19-18-17(11)13(3)20-21(18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyDMBCHSORXMQXSQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.36
Rot. Bonds4

About 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid

3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid (PubChem CID 16775415) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid
PubChem CID16775415
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid
SMILESCc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)O
InChIInChI=1S/C18H19N3O2/c1-11-15(9-10-16(22)23)12(2)19-18-17(11)13(3)20-21(18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,22,23)
InChIKeyDMBCHSORXMQXSQ-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-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-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid?
The IUPAC name of 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid (CID 16775415) is 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid.
What is the SMILES notation for 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid?
The canonical SMILES for 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid is Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)O.
What is the InChIKey of 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid?
The InChIKey is DMBCHSORXMQXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-15(9-10-16(22)23)12(2)19-18-17(11)13(3)20-21(18)14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3,(H,22,23).
What are the key properties of 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid?
3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4,6-trimethyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)propanoic acid is sourced from PubChem (CID 16775415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).