3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

C24H28FN5O2 — CID 20863213

IUPAC3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C24H28FN5O2/c1-16-20(9-10-23(31)26-11-5-13-29-12-4-8-24(29)32)17(2)30-22(27-16)15-21(28-30)18-6-3-7-19(25)14-18/h3,6-7,14-15H,4-5,8-13H2,1-2H3,(H,26,31)
InChIKeyCCYDZNAWMFWMDJ-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.21
Rot. Bonds8

About 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (PubChem CID 20863213) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
PubChem CID20863213
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCCN1CCCC1=O
InChIInChI=1S/C24H28FN5O2/c1-16-20(9-10-23(31)26-11-5-13-29-12-4-8-24(29)32)17(2)30-22(27-16)15-21(28-30)18-6-3-7-19(25)14-18/h3,6-7,14-15H,4-5,8-13H2,1-2H3,(H,26,31)
InChIKeyCCYDZNAWMFWMDJ-UHFFFAOYSA-N
XLogP3.21
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide (CID 20863213) is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCCN1CCCC1=O.
What is the InChIKey of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
The InChIKey is CCYDZNAWMFWMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-16-20(9-10-23(31)26-11-5-13-29-12-4-8-24(29)32)17(2)30-22(27-16)15-21(28-30)18-6-3-7-19(25)14-18/h3,6-7,14-15H,4-5,8-13H2,1-2H3,(H,26,31).
What are the key properties of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide?
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide has a molecular weight of 437.52 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide is sourced from PubChem (CID 20863213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).