5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid

C28H24N4O2 — CID 130214224

IUPAC5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12
InChIInChI=1S/C28H24N4O2/c33-28(34)25-9-5-6-22-23(25)7-4-8-24(22)26-17-30-32-18-20(16-29-27(26)32)19-10-12-21(13-11-19)31-14-2-1-3-15-31/h4-13,16-18H,1-3,14-15H2,(H,33,34)
InChIKeyVDWQTZIAOYRHKJ-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.91
Rot. Bonds4

About 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid

5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid (PubChem CID 130214224) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
PubChem CID130214224
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12
InChIInChI=1S/C28H24N4O2/c33-28(34)25-9-5-6-22-23(25)7-4-8-24(22)26-17-30-32-18-20(16-29-27(26)32)19-10-12-21(13-11-19)31-14-2-1-3-15-31/h4-13,16-18H,1-3,14-15H2,(H,33,34)
InChIKeyVDWQTZIAOYRHKJ-UHFFFAOYSA-N
XLogP5.91
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
The IUPAC name of 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid (CID 130214224) is 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
The canonical SMILES for 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid is O=C(O)c1cccc2c(-c3cnn4cc(-c5ccc(N6CCCCC6)cc5)cnc34)cccc12.
What is the InChIKey of 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
The InChIKey is VDWQTZIAOYRHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c33-28(34)25-9-5-6-22-23(25)7-4-8-24(22)26-17-30-32-18-20(16-29-27(26)32)19-10-12-21(13-11-19)31-14-2-1-3-15-31/h4-13,16-18H,1-3,14-15H2,(H,33,34).
What are the key properties of 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid?
5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid has a molecular weight of 448.53 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-piperidin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 130214224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).