4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid

C19H15N5O2 — CID 155569572

IUPAC4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnn3ccc(NCc4ccncc4)nc23)cc1
InChIInChI=1S/C19H15N5O2/c25-19(26)15-3-1-14(2-4-15)16-12-22-24-10-7-17(23-18(16)24)21-11-13-5-8-20-9-6-13/h1-10,12H,11H2,(H,21,23)(H,25,26)
InChIKeyFUEZLEQPLGYZOE-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.10
Rot. Bonds5

About 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid

4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid (PubChem CID 155569572) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
PubChem CID155569572
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2cnn3ccc(NCc4ccncc4)nc23)cc1
InChIInChI=1S/C19H15N5O2/c25-19(26)15-3-1-14(2-4-15)16-12-22-24-10-7-17(23-18(16)24)21-11-13-5-8-20-9-6-13/h1-10,12H,11H2,(H,21,23)(H,25,26)
InChIKeyFUEZLEQPLGYZOE-UHFFFAOYSA-N
XLogP3.10
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid?
The IUPAC name of 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid (CID 155569572) is 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid is O=C(O)c1ccc(-c2cnn3ccc(NCc4ccncc4)nc23)cc1.
What is the InChIKey of 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid?
The InChIKey is FUEZLEQPLGYZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-19(26)15-3-1-14(2-4-15)16-12-22-24-10-7-17(23-18(16)24)21-11-13-5-8-20-9-6-13/h1-10,12H,11H2,(H,21,23)(H,25,26).
What are the key properties of 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid?
4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid has a molecular weight of 345.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid is sourced from PubChem (CID 155569572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).