1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

C17H16FN5O — CID 134386416

IUPAC1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12
InChIInChI=1S/C17H16FN5O/c1-11(24)14-10-20-23-6-4-16(21-17(14)23)22-5-2-3-15(22)12-7-13(18)9-19-8-12/h4,6-10,15H,2-3,5H2,1H3/t15-/m1/s1
InChIKeyVITFVENTTVVHTN-OAHLLOKOSA-N
MW325.35 g/mol
LogP2.81
Rot. Bonds3

About 1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone

1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (PubChem CID 134386416) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
PubChem CID134386416
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
SMILESCC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12
InChIInChI=1S/C17H16FN5O/c1-11(24)14-10-20-23-6-4-16(21-17(14)23)22-5-2-3-15(22)12-7-13(18)9-19-8-12/h4,6-10,15H,2-3,5H2,1H3/t15-/m1/s1
InChIKeyVITFVENTTVVHTN-OAHLLOKOSA-N
XLogP2.81
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The IUPAC name of 1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone (CID 134386416) is 1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The canonical SMILES for 1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is CC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12.
What is the InChIKey of 1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
The InChIKey is VITFVENTTVVHTN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-11(24)14-10-20-23-6-4-16(21-17(14)23)22-5-2-3-15(22)12-7-13(18)9-19-8-12/h4,6-10,15H,2-3,5H2,1H3/t15-/m1/s1.
What are the key properties of 1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone?
1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone has a molecular weight of 325.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone is sourced from PubChem (CID 134386416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).