5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

C15H17FN6O2 — CID 154564026

IUPAC5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(c1ncc(F)c(N3CCCC3)n1)CC2
InChIInChI=1S/C15H17FN6O2/c16-10-7-17-15(18-13(10)21-4-1-2-5-21)22-6-3-11-9(8-22)12(14(23)24)20-19-11/h7H,1-6,8H2,(H,19,20)(H,23,24)
InChIKeyUICTXGLYRLGNFQ-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.20
Rot. Bonds3

About 5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 154564026) has the molecular formula C15H17FN6O2 and a molecular weight of 332.34 g/mol. Its IUPAC name is 5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID154564026
Molecular FormulaC15H17FN6O2
Molecular Weight332.34 g/mol
Exact Mass332.14
IUPAC Name5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(c1ncc(F)c(N3CCCC3)n1)CC2
InChIInChI=1S/C15H17FN6O2/c16-10-7-17-15(18-13(10)21-4-1-2-5-21)22-6-3-11-9(8-22)12(14(23)24)20-19-11/h7H,1-6,8H2,(H,19,20)(H,23,24)
InChIKeyUICTXGLYRLGNFQ-UHFFFAOYSA-N
XLogP1.20
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-(5-fluoro-2-methylpyrimidin-4-yl)-1H-pyrazole-5-carboxylic acid
CID 138493444
6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 169016619
3-(5-fluoropyrimidin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid
CID 176181751
5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 137335186
5-[6-(Trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154566577
5-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154779726
(6R)-6-methyl-2-[(2R)-1-[1-(2-prop-1-en-2-ylpyrimidin-5-yl)ethylamino]propan-2-yl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 167221026
(7S)-5-[5-(dimethylcarbamoyl)pyrimidin-2-yl]-1-ethyl-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-3-carboxylic acid
CID 177302567
5-[5-(dimethylcarbamoyl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 177302949
5-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 177302994

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 154564026) is 5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1n[nH]c2c1CN(c1ncc(F)c(N3CCCC3)n1)CC2.
What is the InChIKey of 5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is UICTXGLYRLGNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O2/c16-10-7-17-15(18-13(10)21-4-1-2-5-21)22-6-3-11-9(8-22)12(14(23)24)20-19-11/h7H,1-6,8H2,(H,19,20)(H,23,24).
What are the key properties of 5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 332.34 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 154564026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).