4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one

C25H25N5O3 — CID 175997220

IUPAC4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nn2c(=O)cc(C)n(CCO)c2c1-c1cncc(-c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C25H25N5O3/c1-16-12-23(33)30-25(28(16)10-11-31)24(17(2)27-30)20-13-19(14-26-15-20)18-5-7-21(8-6-18)29-9-3-4-22(29)32/h5-8,12-15,31H,3-4,9-11H2,1-2H3
InChIKeyUWGGXYBEJUZNKT-UHFFFAOYSA-N
MW443.51 g/mol
LogP2.96
Rot. Bonds5

About 4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one

4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 175997220) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID175997220
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nn2c(=O)cc(C)n(CCO)c2c1-c1cncc(-c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C25H25N5O3/c1-16-12-23(33)30-25(28(16)10-11-31)24(17(2)27-30)20-13-19(14-26-15-20)18-5-7-21(8-6-18)29-9-3-4-22(29)32/h5-8,12-15,31H,3-4,9-11H2,1-2H3
InChIKeyUWGGXYBEJUZNKT-UHFFFAOYSA-N
XLogP2.96
TPSA92.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyridin-2-one
CID 155210706
1-[4-[5-(1,3-dimethylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 155227317
1-[4-[5-[3-(2-aminopyrimidin-5-yl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 149315700
1-[4-[5-(4-oxocyclohexa-1,5-dien-1-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 160634990
1-[3-methyl-4-(5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146702656
1-[4-(4-methyl-5-pyridin-4-yl-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 146769068
1-[4-[5-(6-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 146845095
1-[4-[5-[3-(2-aminopyrimidin-5-yl)imidazo[1,2-a]pyrimidin-6-yl]-3-pyridinyl]phenyl]pyrrolidin-2-one
CID 153264528
N,1-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrrolo[2,3-b]pyridine-5-carboxamide
CID 147144985
1-methyl-4-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]-6H-pyrazolo[5,4-c]pyridin-7-one
CID 155210783
1-[4-(6-amino-3-pyridinyl)phenyl]pyrrolidin-2-one
CID 142612606
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one (CID 175997220) is 4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one is Cc1nn2c(=O)cc(C)n(CCO)c2c1-c1cncc(-c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of 4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UWGGXYBEJUZNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-16-12-23(33)30-25(28(16)10-11-31)24(17(2)27-30)20-13-19(14-26-15-20)18-5-7-21(8-6-18)29-9-3-4-22(29)32/h5-8,12-15,31H,3-4,9-11H2,1-2H3.
What are the key properties of 4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one?
4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 443.51 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-2,5-dimethyl-3-[5-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 175997220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).