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

C20H14N4O2 — CID 70925551

IUPAC5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2cc(-c3cc(=O)n4[nH]cc(-c5ccccn5)c4n3)ccc2o1
InChIInChI=1S/C20H14N4O2/c1-12-8-14-9-13(5-6-18(14)26-12)17-10-19(25)24-20(23-17)15(11-22-24)16-4-2-3-7-21-16/h2-11,22H,1H3
InChIKeyNXCXFYAPZHTPOC-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.81
Rot. Bonds2

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

5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925551) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925551
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2cc(-c3cc(=O)n4[nH]cc(-c5ccccn5)c4n3)ccc2o1
InChIInChI=1S/C20H14N4O2/c1-12-8-14-9-13(5-6-18(14)26-12)17-10-19(25)24-20(23-17)15(11-22-24)16-4-2-3-7-21-16/h2-11,22H,1H3
InChIKeyNXCXFYAPZHTPOC-UHFFFAOYSA-N
XLogP3.81
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 9684145
1-[(5-Fluoro-2-pyridinyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[(2-propan-2-yl-1-benzofuran-5-yl)methyl]urea
CID 168296486
N'-[1-(1-benzofuran-2-yl)ethylidene]isonicotinohydrazide
CID 9616066
7-(1H-indol-5-ylcarbonyl)-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
CID 53184128
3-Benzo[b]furan-2-yl-5-(4-methoxyphenyl)-4,5-dihydro-1H-1-pyrazolyl-4-pyridylmethanone
CID 46934218
N'-[(E)-benzofuran-2-ylmethyleneamino]pyridine-2-carboxamidine
CID 9575098
5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925365
2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925372
5-(1-Benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
CID 70925383
5-(1-Benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
CID 70925424
5-Methoxy-15-pyridin-2-yl-12,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,5,14,16-hexaen-11-one
CID 70925452
2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925502

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925551) is 5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2cc(-c3cc(=O)n4[nH]cc(-c5ccccn5)c4n3)ccc2o1.
What is the InChIKey of 5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is NXCXFYAPZHTPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-12-8-14-9-13(5-6-18(14)26-12)17-10-19(25)24-20(23-17)15(11-22-24)16-4-2-3-7-21-16/h2-11,22H,1H3.
What are the key properties of 5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 342.36 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).