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

C20H22N4O2 — CID 58206944

IUPAC1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)Cc1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C20H22N4O2/c25-18(7-6-16-4-2-1-3-5-16)14-17-15-20(23-10-12-26-13-11-23)24-19(22-17)8-9-21-24/h1-5,8-9,15H,6-7,10-14H2
InChIKeyYUKXDBMBSOGQSJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.31
Rot. Bonds6

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

1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one (PubChem CID 58206944) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one
PubChem CID58206944
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one
SMILESO=C(CCc1ccccc1)Cc1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C20H22N4O2/c25-18(7-6-16-4-2-1-3-5-16)14-17-15-20(23-10-12-26-13-11-23)24-19(22-17)8-9-21-24/h1-5,8-9,15H,6-7,10-14H2
InChIKeyYUKXDBMBSOGQSJ-UHFFFAOYSA-N
XLogP2.31
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
Pyrazolo[1,5-a]-1,3,5-triazine, 13-9
CID 42618215
7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide
CID 155555562
5-(4-Fluorophenyl)-6-(2-morpholinoethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1487690
4-(2-Methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 1850847
4-[5-Tert-butyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 1851774
4-(5-Isopropyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4870355
4-(2,5-Dimethyl-3-(p-tolyl)pyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4904826
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
3-(2-Chlorophenyl)-5-methyl-7-(morpholin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 4910004

Frequently Asked Questions

What is the IUPAC name of 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one?
The IUPAC name of 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one (CID 58206944) is 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one.
What is the SMILES notation for 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one?
The canonical SMILES for 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one is O=C(CCc1ccccc1)Cc1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one?
The InChIKey is YUKXDBMBSOGQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-18(7-6-16-4-2-1-3-5-16)14-17-15-20(23-10-12-26-13-11-23)24-19(22-17)8-9-21-24/h1-5,8-9,15H,6-7,10-14H2.
What are the key properties of 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one?
1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-4-phenylbutan-2-one is sourced from PubChem (CID 58206944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).