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

C17H19FN4O2 — CID 146044712

IUPAC5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C1CCN(c3ccc(F)cc3)C1)CC2
InChIInChI=1S/C17H19FN4O2/c18-11-1-3-12(4-2-11)21-7-5-13(9-21)22-8-6-15-14(10-22)16(17(23)24)20-19-15/h1-4,13H,5-10H2,(H,19,20)(H,23,24)
InChIKeyRHBDOFDANPUHNT-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.88
Rot. Bonds3

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

5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 146044712) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID146044712
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C1CCN(c3ccc(F)cc3)C1)CC2
InChIInChI=1S/C17H19FN4O2/c18-11-1-3-12(4-2-11)21-7-5-13(9-21)22-8-6-15-14(10-22)16(17(23)24)20-19-15/h1-4,13H,5-10H2,(H,19,20)(H,23,24)
InChIKeyRHBDOFDANPUHNT-UHFFFAOYSA-N
XLogP1.88
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 146044712) is 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1n[nH]c2c1CN(C1CCN(c3ccc(F)cc3)C1)CC2.
What is the InChIKey of 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is RHBDOFDANPUHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-11-1-3-12(4-2-11)21-7-5-13(9-21)22-8-6-15-14(10-22)16(17(23)24)20-19-15/h1-4,13H,5-10H2,(H,19,20)(H,23,24).
What are the key properties of 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 330.36 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 146044712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).