5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C13H12F3N5O2 — CID 154779726

IUPAC5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1cc(C(F)(F)F)nc(N2CCc3[nH]nc(C(=O)O)c3C2)n1
InChIInChI=1S/C13H12F3N5O2/c1-6-4-9(13(14,15)16)18-12(17-6)21-3-2-8-7(5-21)10(11(22)23)20-19-8/h4H,2-3,5H2,1H3,(H,19,20)(H,22,23)
InChIKeyVYNJTZNONKMWSG-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.79
Rot. Bonds2

About 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 154779726) has the molecular formula C13H12F3N5O2 and a molecular weight of 327.27 g/mol. Its IUPAC name is 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID154779726
Molecular FormulaC13H12F3N5O2
Molecular Weight327.27 g/mol
Exact Mass327.09
IUPAC Name5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCc1cc(C(F)(F)F)nc(N2CCc3[nH]nc(C(=O)O)c3C2)n1
InChIInChI=1S/C13H12F3N5O2/c1-6-4-9(13(14,15)16)18-12(17-6)21-3-2-8-7(5-21)10(11(22)23)20-19-8/h4H,2-3,5H2,1H3,(H,19,20)(H,22,23)
InChIKeyVYNJTZNONKMWSG-UHFFFAOYSA-N
XLogP1.79
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid with MolForge

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Related Compounds

methyl 5-[6-(trans-3-aminocyclobutyl)-2-(methoxymethyl)-4-pyrimidinyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate dihydrochloride
CID 91774340
methyl 5-(6-ethylpyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 72873615
methyl 5-(4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 72900223
6-(4-Methyl-1-piperazinyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate trifluoroacetate
CID 67695686
6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 169016619
6-(4,4-difluoropiperidin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 169016624
6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylate;2,2,2-trifluoroacetate
CID 19089881
5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 137335186
5-[5-fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154564026
5-[6-(Trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154566577
6-(4-methylpiperazin-1-yl)-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
CID 10825306
4-{[4-(2-Methylpyrimidin-4-YL)piperidin-1-YL]methyl}-1H-pyrazole-3-carboxylic acid
CID 77090082

Frequently Asked Questions

What is the IUPAC name of 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 154779726) is 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is Cc1cc(C(F)(F)F)nc(N2CCc3[nH]nc(C(=O)O)c3C2)n1.
What is the InChIKey of 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is VYNJTZNONKMWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2/c1-6-4-9(13(14,15)16)18-12(17-6)21-3-2-8-7(5-21)10(11(22)23)20-19-8/h4H,2-3,5H2,1H3,(H,19,20)(H,22,23).
What are the key properties of 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 327.27 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 154779726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).