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

C16H13F3N4O2 — CID 2367346

IUPAC3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid
SMILESCc1nn(CCC(=O)O)c2nc(-c3cccnc3)cc(C(F)(F)F)c12
InChIInChI=1S/C16H13F3N4O2/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)
InChIKeyRDSWHDNGNAWBGI-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.30
Rot. Bonds4

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

3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid (PubChem CID 2367346) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid
PubChem CID2367346
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid
SMILESCc1nn(CCC(=O)O)c2nc(-c3cccnc3)cc(C(F)(F)F)c12
InChIInChI=1S/C16H13F3N4O2/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)
InChIKeyRDSWHDNGNAWBGI-UHFFFAOYSA-N
XLogP3.30
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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?
The IUPAC name of 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid (CID 2367346) is 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid is Cc1nn(CCC(=O)O)c2nc(-c3cccnc3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid?
The InChIKey is RDSWHDNGNAWBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/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).
What are the key properties of 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid?
3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid has a molecular weight of 350.30 g/mol, XLogP of 3.30, 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 is sourced from PubChem (CID 2367346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).