2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone

C21H23FN4O2 — CID 58207103

IUPAC2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
SMILESCC(C)(O)c1ccc(C(=O)Cc2cc(N3CCC(F)C3)n3nccc3n2)cc1
InChIInChI=1S/C21H23FN4O2/c1-21(2,28)15-5-3-14(4-6-15)18(27)11-17-12-20(25-10-8-16(22)13-25)26-19(24-17)7-9-23-26/h3-7,9,12,16,28H,8,10-11,13H2,1-2H3
InChIKeyXGPWAADKPVKBON-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.93
Rot. Bonds5

About 2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone

2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone (PubChem CID 58207103) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
PubChem CID58207103
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC Name2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone
SMILESCC(C)(O)c1ccc(C(=O)Cc2cc(N3CCC(F)C3)n3nccc3n2)cc1
InChIInChI=1S/C21H23FN4O2/c1-21(2,28)15-5-3-14(4-6-15)18(27)11-17-12-20(25-10-8-16(22)13-25)26-19(24-17)7-9-23-26/h3-7,9,12,16,28H,8,10-11,13H2,1-2H3
InChIKeyXGPWAADKPVKBON-UHFFFAOYSA-N
XLogP2.93
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone?
The IUPAC name of 2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone (CID 58207103) is 2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone.
What is the SMILES notation for 2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone?
The canonical SMILES for 2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone is CC(C)(O)c1ccc(C(=O)Cc2cc(N3CCC(F)C3)n3nccc3n2)cc1.
What is the InChIKey of 2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone?
The InChIKey is XGPWAADKPVKBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-21(2,28)15-5-3-14(4-6-15)18(27)11-17-12-20(25-10-8-16(22)13-25)26-19(24-17)7-9-23-26/h3-7,9,12,16,28H,8,10-11,13H2,1-2H3.
What are the key properties of 2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone?
2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone has a molecular weight of 382.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone is sourced from PubChem (CID 58207103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).