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

C16H12F3N4O2- — CID 2367345

IUPAC3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate
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)/p-1
InChIKeyRDSWHDNGNAWBGI-UHFFFAOYSA-M
MW349.29 g/mol
LogP1.96
Rot. Bonds4

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

3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate (PubChem CID 2367345) has the molecular formula C16H12F3N4O2- and a molecular weight of 349.29 g/mol. Its IUPAC name is 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate.

Molecular Properties

Compound Name3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate
PubChem CID2367345
Molecular FormulaC16H12F3N4O2-
Molecular Weight349.29 g/mol
Exact Mass349.09
IUPAC Name3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate
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)/p-1
InChIKeyRDSWHDNGNAWBGI-UHFFFAOYSA-M
XLogP1.96
TPSA83.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-bromophenyl)-3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308004
3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid
CID 2366722
3-methyl-6-(4-methylphenyl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497858
1-benzyl-3-methyl-6-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497825
2-[6-[3-(difluoromethoxy)phenyl]-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetic acid
CID 19497189
6-(4-tert-butylphenyl)-3-methyl-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497870
6-(4-tert-butylphenyl)-1-ethyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19585668
4-[1-benzyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol
CID 135562179
3-methyl-6-(5-methylthiophen-2-yl)-1-propyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497851
1-benzyl-6-(4-tert-butylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 19497836
3-methyl-1-(4-nitrophenyl)-6-pyridin-4-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308050
methyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 25247922

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]propanoate?
The IUPAC name of 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate (CID 2367345) is 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate.
What is the SMILES notation for 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate?
The canonical SMILES for 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate 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]propanoate?
The InChIKey is RDSWHDNGNAWBGI-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate?
3-[3-methyl-6-pyridin-3-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoate has a molecular weight of 349.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]propanoate is sourced from PubChem (CID 2367345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).