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

C19H17FN4O2 — CID 91839921

IUPAC6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(CN3CC=C(c4ccc(F)cc4)CC3)cnc12
InChIInChI=1S/C19H17FN4O2/c20-16-3-1-14(2-4-16)15-5-7-23(8-6-15)11-13-9-21-18-17(19(25)26)10-22-24(18)12-13/h1-5,9-10,12H,6-8,11H2,(H,25,26)
InChIKeyLGFOJEQTZSIJAC-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.86
Rot. Bonds4

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

6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 91839921) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID91839921
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(CN3CC=C(c4ccc(F)cc4)CC3)cnc12
InChIInChI=1S/C19H17FN4O2/c20-16-3-1-14(2-4-16)15-5-7-23(8-6-15)11-13-9-21-18-17(19(25)26)10-22-24(18)12-13/h1-5,9-10,12H,6-8,11H2,(H,25,26)
InChIKeyLGFOJEQTZSIJAC-UHFFFAOYSA-N
XLogP2.86
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 91839921) is 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2cc(CN3CC=C(c4ccc(F)cc4)CC3)cnc12.
What is the InChIKey of 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is LGFOJEQTZSIJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-16-3-1-14(2-4-16)15-5-7-23(8-6-15)11-13-9-21-18-17(19(25)26)10-22-24(18)12-13/h1-5,9-10,12H,6-8,11H2,(H,25,26).
What are the key properties of 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 352.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 91839921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).