2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

C18H15FN4O2 — CID 170327753

IUPAC2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESO=C(O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2C1
InChIInChI=1S/C18H15FN4O2/c19-14-3-1-13(2-4-14)17-16(12-5-7-20-8-6-12)15-11-22(18(24)25)9-10-23(15)21-17/h1-8H,9-11H2,(H,24,25)
InChIKeyZXQSJDSUJPSSBD-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.24
Rot. Bonds2

About 2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid

2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (PubChem CID 170327753) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
PubChem CID170327753
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid
SMILESO=C(O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2C1
InChIInChI=1S/C18H15FN4O2/c19-14-3-1-13(2-4-14)17-16(12-5-7-20-8-6-12)15-11-22(18(24)25)9-10-23(15)21-17/h1-8H,9-11H2,(H,24,25)
InChIKeyZXQSJDSUJPSSBD-UHFFFAOYSA-N
XLogP3.24
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The IUPAC name of 2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid (CID 170327753) is 2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid.
What is the SMILES notation for 2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The canonical SMILES for 2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is O=C(O)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2C1.
What is the InChIKey of 2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
The InChIKey is ZXQSJDSUJPSSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-14-3-1-13(2-4-14)17-16(12-5-7-20-8-6-12)15-11-22(18(24)25)9-10-23(15)21-17/h1-8H,9-11H2,(H,24,25).
What are the key properties of 2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid?
2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid has a molecular weight of 338.34 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylic acid is sourced from PubChem (CID 170327753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).