5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C14H17FN6O2 — CID 137335186

IUPAC5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCN(C)c1nc(N2CCc3c(c(C(=O)O)nn3C)C2)ncc1F
InChIInChI=1S/C14H17FN6O2/c1-19(2)12-9(15)6-16-14(17-12)21-5-4-10-8(7-21)11(13(22)23)18-20(10)3/h6H,4-5,7H2,1-3H3,(H,22,23)
InChIKeyWWTNZXJZARZOSP-UHFFFAOYSA-N
MW320.33 g/mol
LogP0.68
Rot. Bonds3

About 5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 137335186) has the molecular formula C14H17FN6O2 and a molecular weight of 320.33 g/mol. Its IUPAC name is 5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID137335186
Molecular FormulaC14H17FN6O2
Molecular Weight320.33 g/mol
Exact Mass320.14
IUPAC Name5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCN(C)c1nc(N2CCc3c(c(C(=O)O)nn3C)C2)ncc1F
InChIInChI=1S/C14H17FN6O2/c1-19(2)12-9(15)6-16-14(17-12)21-5-4-10-8(7-21)11(13(22)23)18-20(10)3/h6H,4-5,7H2,1-3H3,(H,22,23)
InChIKeyWWTNZXJZARZOSP-UHFFFAOYSA-N
XLogP0.68
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(1H-imidazol-1-yl)propanoyl]-1-(3-methylbutyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56708549
4-(5-Fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 90383267
4-(5-Fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 90383355
4-(5-Fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 90383366
4-(5-Fluoropyrimidin-2-yl)-1,5-dimethylpyrazole-3-carboxylic acid
CID 130298557
4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
CID 138493444
Ethyl 4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)-1,5-dimethylpyrazole-3-carboxylate
CID 169931976
3-(5-fluoropyrimidin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid
CID 176181751
4-(5-Fluoropyrimidin-2-yl)-1-methyl-5-(trihydroxymethyl)pyrazole-3-carboxylic acid
CID 176684202
3-Ethyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 105513323
3-Cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 105518802
3-Cyclopropyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 105518804

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 137335186) is 5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CN(C)c1nc(N2CCc3c(c(C(=O)O)nn3C)C2)ncc1F.
What is the InChIKey of 5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is WWTNZXJZARZOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN6O2/c1-19(2)12-9(15)6-16-14(17-12)21-5-4-10-8(7-21)11(13(22)23)18-20(10)3/h6H,4-5,7H2,1-3H3,(H,22,23).
What are the key properties of 5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 320.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 137335186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).