5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

C20H14N4O3 — CID 70925552

IUPAC5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESCc1coc2ccc(-c3cc(=O)n4[nH]c(=O)c(-c5ccccn5)c4[nH]3)cc12
InChIInChI=1S/C20H14N4O3/c1-11-10-27-16-6-5-12(8-13(11)16)15-9-17(25)24-19(22-15)18(20(26)23-24)14-4-2-3-7-21-14/h2-10,22H,1H3,(H,23,26)
InChIKeyPNVANAVODJLBLC-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.10
Rot. Bonds2

About 5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (PubChem CID 70925552) has the molecular formula C20H14N4O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
PubChem CID70925552
Molecular FormulaC20H14N4O3
Molecular Weight358.36 g/mol
Exact Mass358.11
IUPAC Name5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESCc1coc2ccc(-c3cc(=O)n4[nH]c(=O)c(-c5ccccn5)c4[nH]3)cc12
InChIInChI=1S/C20H14N4O3/c1-11-10-27-16-6-5-12(8-13(11)16)15-9-17(25)24-19(22-15)18(20(26)23-24)14-4-2-3-7-21-14/h2-10,22H,1H3,(H,23,26)
InChIKeyPNVANAVODJLBLC-UHFFFAOYSA-N
XLogP3.10
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The IUPAC name of 5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (CID 70925552) is 5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.
What is the SMILES notation for 5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The canonical SMILES for 5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is Cc1coc2ccc(-c3cc(=O)n4[nH]c(=O)c(-c5ccccn5)c4[nH]3)cc12.
What is the InChIKey of 5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The InChIKey is PNVANAVODJLBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3/c1-11-10-27-16-6-5-12(8-13(11)16)15-9-17(25)24-19(22-15)18(20(26)23-24)14-4-2-3-7-21-14/h2-10,22H,1H3,(H,23,26).
What are the key properties of 5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione has a molecular weight of 358.36 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1-benzofuran-5-yl)-3-pyridin-2-yl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is sourced from PubChem (CID 70925552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).