3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one

C23H24N4O4 — CID 146536248

IUPAC3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one
SMILESCOc1cc2c(cc1CC(=O)c1cnn3ccc(C4CCNC4=O)nc13)CC(C)(C)O2
InChIInChI=1S/C23H24N4O4/c1-23(2)11-14-8-13(19(30-3)10-20(14)31-23)9-18(28)16-12-25-27-7-5-17(26-21(16)27)15-4-6-24-22(15)29/h5,7-8,10,12,15H,4,6,9,11H2,1-3H3,(H,24,29)
InChIKeyDCVNEZDKWIZQLU-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.48
Rot. Bonds5

About 3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one

3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one (PubChem CID 146536248) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one
PubChem CID146536248
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one
SMILESCOc1cc2c(cc1CC(=O)c1cnn3ccc(C4CCNC4=O)nc13)CC(C)(C)O2
InChIInChI=1S/C23H24N4O4/c1-23(2)11-14-8-13(19(30-3)10-20(14)31-23)9-18(28)16-12-25-27-7-5-17(26-21(16)27)15-4-6-24-22(15)29/h5,7-8,10,12,15H,4,6,9,11H2,1-3H3,(H,24,29)
InChIKeyDCVNEZDKWIZQLU-UHFFFAOYSA-N
XLogP2.48
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one?
The IUPAC name of 3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one (CID 146536248) is 3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one is COc1cc2c(cc1CC(=O)c1cnn3ccc(C4CCNC4=O)nc13)CC(C)(C)O2.
What is the InChIKey of 3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one?
The InChIKey is DCVNEZDKWIZQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-23(2)11-14-8-13(19(30-3)10-20(14)31-23)9-18(28)16-12-25-27-7-5-17(26-21(16)27)15-4-6-24-22(15)29/h5,7-8,10,12,15H,4,6,9,11H2,1-3H3,(H,24,29).
What are the key properties of 3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one?
3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one has a molecular weight of 420.47 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)acetyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 146536248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).