1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one

C22H26FN5O — CID 16667908

IUPAC1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(NCCCN2CCCC2=O)c1C
InChIInChI=1S/C22H26FN5O/c1-14-15(2)25-22-20(17-7-9-18(23)10-8-17)16(3)26-28(22)21(14)24-11-5-13-27-12-4-6-19(27)29/h7-10,24H,4-6,11-13H2,1-3H3
InChIKeyGSSHABNJMFWCMS-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.89
Rot. Bonds6

About 1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 16667908) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
PubChem CID16667908
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1nc2c(-c3ccc(F)cc3)c(C)nn2c(NCCCN2CCCC2=O)c1C
InChIInChI=1S/C22H26FN5O/c1-14-15(2)25-22-20(17-7-9-18(23)10-8-17)16(3)26-28(22)21(14)24-11-5-13-27-12-4-6-19(27)29/h7-10,24H,4-6,11-13H2,1-3H3
InChIKeyGSSHABNJMFWCMS-UHFFFAOYSA-N
XLogP3.89
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.89
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 1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one (CID 16667908) is 1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one is Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(NCCCN2CCCC2=O)c1C.
What is the InChIKey of 1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is GSSHABNJMFWCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-14-15(2)25-22-20(17-7-9-18(23)10-8-17)16(3)26-28(22)21(14)24-11-5-13-27-12-4-6-19(27)29/h7-10,24H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 395.48 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(4-fluorophenyl)-2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 16667908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).