2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone

C20H21FN4O — CID 110214220

IUPAC2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
SMILESCc1cc2nccc(C3CCCN(C(=O)Cc4ccccc4F)C3)n2n1
InChIInChI=1S/C20H21FN4O/c1-14-11-19-22-9-8-18(25(19)23-14)16-6-4-10-24(13-16)20(26)12-15-5-2-3-7-17(15)21/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3
InChIKeyQLQWXDVTOIEOSE-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.13
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone

2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone (PubChem CID 110214220) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
PubChem CID110214220
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
SMILESCc1cc2nccc(C3CCCN(C(=O)Cc4ccccc4F)C3)n2n1
InChIInChI=1S/C20H21FN4O/c1-14-11-19-22-9-8-18(25(19)23-14)16-6-4-10-24(13-16)20(26)12-15-5-2-3-7-17(15)21/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3
InChIKeyQLQWXDVTOIEOSE-UHFFFAOYSA-N
XLogP3.13
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-[(3R)-3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 95797898
2-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 110103994
1-[3-(chloromethyl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 63393016
2-(2-fluorophenyl)-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97272135
2-(2-fluorophenyl)-1-[(3R)-3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92610466
4-[1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-2-pyrazin-2-yl-1H-pyrimidin-6-one
CID 136881426
2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70747806
2-[1-[2-(2-fluorophenyl)acetyl]pyrrolidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110237977
2-(2-fluorophenyl)-1-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125003518
2-(2-fluorophenyl)-1-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 95148946
5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46960716
1-[3-[6-(dimethylamino)-2-pyridin-3-ylpyrimidin-4-yl]piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110239994

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone (CID 110214220) is 2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone is Cc1cc2nccc(C3CCCN(C(=O)Cc4ccccc4F)C3)n2n1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The InChIKey is QLQWXDVTOIEOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14-11-19-22-9-8-18(25(19)23-14)16-6-4-10-24(13-16)20(26)12-15-5-2-3-7-17(15)21/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone has a molecular weight of 352.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110214220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).