1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone

C18H16F2N4O2 — CID 58206928

IUPAC1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
SMILESO=C(Cc1cc(N2CCOCC2)n2nccc2n1)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4O2/c19-12-1-2-14(15(20)9-12)16(25)10-13-11-18(23-5-7-26-8-6-23)24-17(22-13)3-4-21-24/h1-4,9,11H,5-8,10H2
InChIKeyPPEBXLNAIGBULG-UHFFFAOYSA-N
MW358.35 g/mol
LogP2.27
Rot. Bonds4

About 1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone

1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone (PubChem CID 58206928) has the molecular formula C18H16F2N4O2 and a molecular weight of 358.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
PubChem CID58206928
Molecular FormulaC18H16F2N4O2
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
SMILESO=C(Cc1cc(N2CCOCC2)n2nccc2n1)c1ccc(F)cc1F
InChIInChI=1S/C18H16F2N4O2/c19-12-1-2-14(15(20)9-12)16(25)10-13-11-18(23-5-7-26-8-6-23)24-17(22-13)3-4-21-24/h1-4,9,11H,5-8,10H2
InChIKeyPPEBXLNAIGBULG-UHFFFAOYSA-N
XLogP2.27
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ocinaplon
CID 216456
US9555022, Example 02.29
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N-(2-methoxyethyl)-N,2-dimethyl-3-phenyl-2-[3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]propanamide
CID 66964555
4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
2-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1069844
5-(4-Fluorophenyl)-6-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1487690
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
4-(5-Methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4906222
4-(5-Methyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4909114
7-(difluoromethyl)-N-morpholin-4-yl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995380
3-(4-Morpholinylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1004815
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone
CID 1110941

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone (CID 58206928) is 1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone is O=C(Cc1cc(N2CCOCC2)n2nccc2n1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
The InChIKey is PPEBXLNAIGBULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O2/c19-12-1-2-14(15(20)9-12)16(25)10-13-11-18(23-5-7-26-8-6-23)24-17(22-13)3-4-21-24/h1-4,9,11H,5-8,10H2.
What are the key properties of 1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone?
1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone has a molecular weight of 358.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone is sourced from PubChem (CID 58206928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).