5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one

C22H24N4O3 — CID 69085718

IUPAC5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-n2cccn2)n1
InChIInChI=1S/C22H24N4O3/c1-15-13-17(21-18(28-2)8-5-9-19(21)29-3)25(22(15)27)14-16-7-4-10-20(24-16)26-12-6-11-23-26/h4-12,15,17H,13-14H2,1-3H3
InChIKeyCMOIZFQRFFEJJY-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.39
Rot. Bonds6

About 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one

5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one (PubChem CID 69085718) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one
PubChem CID69085718
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one
SMILESCOc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-n2cccn2)n1
InChIInChI=1S/C22H24N4O3/c1-15-13-17(21-18(28-2)8-5-9-19(21)29-3)25(22(15)27)14-16-7-4-10-20(24-16)26-12-6-11-23-26/h4-12,15,17H,13-14H2,1-3H3
InChIKeyCMOIZFQRFFEJJY-UHFFFAOYSA-N
XLogP3.39
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one (CID 69085718) is 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one is COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-n2cccn2)n1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one?
The InChIKey is CMOIZFQRFFEJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-13-17(21-18(28-2)8-5-9-19(21)29-3)25(22(15)27)14-16-7-4-10-20(24-16)26-12-6-11-23-26/h4-12,15,17H,13-14H2,1-3H3.
What are the key properties of 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one?
5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one has a molecular weight of 392.46 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-3-methyl-1-[(6-pyrazol-1-yl-2-pyridinyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 69085718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).