2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H13N5O2 — CID 70925502

IUPAC2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3cc4ccccc4o3)nc2c1-c1ccccn1
InChIInChI=1S/C19H13N5O2/c20-18-17(12-6-3-4-8-21-12)19-22-13(10-16(25)24(19)23-18)15-9-11-5-1-2-7-14(11)26-15/h1-10,23H,20H2
InChIKeyWKKUOMWIHQRJLO-UHFFFAOYSA-N
MW343.35 g/mol
LogP3.08
Rot. Bonds2

About 2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925502) has the molecular formula C19H13N5O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925502
Molecular FormulaC19H13N5O2
Molecular Weight343.35 g/mol
Exact Mass343.11
IUPAC Name2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1[nH]n2c(=O)cc(-c3cc4ccccc4o3)nc2c1-c1ccccn1
InChIInChI=1S/C19H13N5O2/c20-18-17(12-6-3-4-8-21-12)19-22-13(10-16(25)24(19)23-18)15-9-11-5-1-2-7-14(11)26-15/h1-10,23H,20H2
InChIKeyWKKUOMWIHQRJLO-UHFFFAOYSA-N
XLogP3.08
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925502) is 2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Nc1[nH]n2c(=O)cc(-c3cc4ccccc4o3)nc2c1-c1ccccn1.
What is the InChIKey of 2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WKKUOMWIHQRJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2/c20-18-17(12-6-3-4-8-21-12)19-22-13(10-16(25)24(19)23-18)15-9-11-5-1-2-7-14(11)26-15/h1-10,23H,20H2.
What are the key properties of 2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 343.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).