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

C19H16N6O — CID 59662500

IUPAC3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnn3ccc(NCc4ccncc4)nc23)c1
InChIInChI=1S/C19H16N6O/c20-18(26)15-3-1-2-14(10-15)16-12-23-25-9-6-17(24-19(16)25)22-11-13-4-7-21-8-5-13/h1-10,12H,11H2,(H2,20,26)(H,22,24)
InChIKeyUDWWNEBYWOJDDT-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.50
Rot. Bonds5

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

3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 59662500) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound Name3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID59662500
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2cnn3ccc(NCc4ccncc4)nc23)c1
InChIInChI=1S/C19H16N6O/c20-18(26)15-3-1-2-14(10-15)16-12-23-25-9-6-17(24-19(16)25)22-11-13-4-7-21-8-5-13/h1-10,12H,11H2,(H2,20,26)(H,22,24)
InChIKeyUDWWNEBYWOJDDT-UHFFFAOYSA-N
XLogP2.50
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of 3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 59662500) is 3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for 3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for 3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is NC(=O)c1cccc(-c2cnn3ccc(NCc4ccncc4)nc23)c1.
What is the InChIKey of 3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is UDWWNEBYWOJDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c20-18(26)15-3-1-2-14(10-15)16-12-23-25-9-6-17(24-19(16)25)22-11-13-4-7-21-8-5-13/h1-10,12H,11H2,(H2,20,26)(H,22,24).
What are the key properties of 3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 344.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 59662500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).