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

C23H28FN5O — CID 20863181

IUPAC3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCN1CCCC1
InChIInChI=1S/C23H28FN5O/c1-16-20(8-9-23(30)25-10-13-28-11-3-4-12-28)17(2)29-22(26-16)15-21(27-29)18-6-5-7-19(24)14-18/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,25,30)
InChIKeyHJYKVBNUPXVGOF-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.30
Rot. Bonds7

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

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 20863181) has the molecular formula C23H28FN5O and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID20863181
Molecular FormulaC23H28FN5O
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCN1CCCC1
InChIInChI=1S/C23H28FN5O/c1-16-20(8-9-23(30)25-10-13-28-11-3-4-12-28)17(2)29-22(26-16)15-21(27-29)18-6-5-7-19(24)14-18/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,25,30)
InChIKeyHJYKVBNUPXVGOF-UHFFFAOYSA-N
XLogP3.30
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 20863181) is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide is Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCN1CCCC1.
What is the InChIKey of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is HJYKVBNUPXVGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O/c1-16-20(8-9-23(30)25-10-13-28-11-3-4-12-28)17(2)29-22(26-16)15-21(27-29)18-6-5-7-19(24)14-18/h5-7,14-15H,3-4,8-13H2,1-2H3,(H,25,30).
What are the key properties of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 409.51 g/mol, XLogP of 3.30, 7 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-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 20863181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).