3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride

C16H14ClF3N4O2 — CID 6603642

IUPAC3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride
SMILESCc1nn(CCC(=O)O)c2nc(-c3cccnc3)cc(C(F)(F)F)c12.Cl
InChIInChI=1S/C16H13F3N4O2.ClH/c1-9-14-11(16(17,18)19)7-12(10-3-2-5-20-8-10)21-15(14)23(22-9)6-4-13(24)25;/h2-3,5,7-8H,4,6H2,1H3,(H,24,25);1H
InChIKeySDMDYXLGWXDLPT-UHFFFAOYSA-N
MW386.76 g/mol
LogP3.72
Rot. Bonds4

About 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride

3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride (PubChem CID 6603642) has the molecular formula C16H14ClF3N4O2 and a molecular weight of 386.76 g/mol. Its IUPAC name is 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride
PubChem CID6603642
Molecular FormulaC16H14ClF3N4O2
Molecular Weight386.76 g/mol
Exact Mass386.08
IUPAC Name3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride
SMILESCc1nn(CCC(=O)O)c2nc(-c3cccnc3)cc(C(F)(F)F)c12.Cl
InChIInChI=1S/C16H13F3N4O2.ClH/c1-9-14-11(16(17,18)19)7-12(10-3-2-5-20-8-10)21-15(14)23(22-9)6-4-13(24)25;/h2-3,5,7-8H,4,6H2,1H3,(H,24,25);1H
InChIKeySDMDYXLGWXDLPT-UHFFFAOYSA-N
XLogP3.72
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride 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-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride?
The IUPAC name of 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride (CID 6603642) is 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride?
The canonical SMILES for 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride is Cc1nn(CCC(=O)O)c2nc(-c3cccnc3)cc(C(F)(F)F)c12.Cl.
What is the InChIKey of 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride?
The InChIKey is SDMDYXLGWXDLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2.ClH/c1-9-14-11(16(17,18)19)7-12(10-3-2-5-20-8-10)21-15(14)23(22-9)6-4-13(24)25;/h2-3,5,7-8H,4,6H2,1H3,(H,24,25);1H.
What are the key properties of 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride?
3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride has a molecular weight of 386.76 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid;hydrochloride is sourced from PubChem (CID 6603642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).