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

C20H15N5O2 — CID 70925372

IUPAC2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2cc(-c3cc(=O)n4[nH]c(N)c(-c5ccccn5)c4n3)ccc2o1
InChIInChI=1S/C20H15N5O2/c1-11-8-13-9-12(5-6-16(13)27-11)15-10-17(26)25-20(23-15)18(19(21)24-25)14-4-2-3-7-22-14/h2-10,24H,21H2,1H3
InChIKeyYPLXPMRQXCJVFV-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.39
Rot. Bonds2

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

2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 70925372) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID70925372
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2cc(-c3cc(=O)n4[nH]c(N)c(-c5ccccn5)c4n3)ccc2o1
InChIInChI=1S/C20H15N5O2/c1-11-8-13-9-12(5-6-16(13)27-11)15-10-17(26)25-20(23-15)18(19(21)24-25)14-4-2-3-7-22-14/h2-10,24H,21H2,1H3
InChIKeyYPLXPMRQXCJVFV-UHFFFAOYSA-N
XLogP3.39
TPSA102.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 9684145
N'-[1-(1-benzofuran-2-yl)ethylidene]isonicotinohydrazide
CID 9616066
N'-[(E)-benzofuran-2-ylmethyleneamino]pyridine-2-carboxamidine
CID 9575098
5-(2,3-Dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
CID 70925353
5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925365
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
2-amino-5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925502
5-(1-benzofuran-2-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925514
5-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925539
5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 70925551
2-hydroxy-5-(3-methylbenzofuran-5-yl)-3-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 70925552

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 70925372) is 2-amino-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 2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-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]c(N)c(-c5ccccn5)c4n3)ccc2o1.
What is the InChIKey of 2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YPLXPMRQXCJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c1-11-8-13-9-12(5-6-16(13)27-11)15-10-17(26)25-20(23-15)18(19(21)24-25)14-4-2-3-7-22-14/h2-10,24H,21H2,1H3.
What are the key properties of 2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 357.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70925372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).