3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

C27H28FN5O — CID 20863221

IUPAC3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H28FN5O/c1-19-24(11-12-27(34)32-15-13-31(14-16-32)23-9-4-3-5-10-23)20(2)33-26(29-19)18-25(30-33)21-7-6-8-22(28)17-21/h3-10,17-18H,11-16H2,1-2H3
InChIKeyUYLXFHSSYSIHPT-UHFFFAOYSA-N
MW457.55 g/mol
LogP4.43
Rot. Bonds5

About 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 20863221) has the molecular formula C27H28FN5O and a molecular weight of 457.55 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID20863221
Molecular FormulaC27H28FN5O
Molecular Weight457.55 g/mol
Exact Mass457.23
IUPAC Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C27H28FN5O/c1-19-24(11-12-27(34)32-15-13-31(14-16-32)23-9-4-3-5-10-23)20(2)33-26(29-19)18-25(30-33)21-7-6-8-22(28)17-21/h3-10,17-18H,11-16H2,1-2H3
InChIKeyUYLXFHSSYSIHPT-UHFFFAOYSA-N
XLogP4.43
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 6622461
N-cyclopentyl-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863151
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methylbutyl)propanamide
CID 20863195
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(4-methylphenyl)propanamide
CID 20863138
3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9032613
N-[(4-chlorophenyl)methyl]-3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 20863172
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 20863197
3-[2-(2-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-morpholin-4-ylpropan-1-one
CID 20863308
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
CID 5307926
2-methyl-2-phenyl-1-[4-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 38453977
2-[3,5-dimethyl-4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135885880
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 20862990

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 20863221) is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one is Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is UYLXFHSSYSIHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O/c1-19-24(11-12-27(34)32-15-13-31(14-16-32)23-9-4-3-5-10-23)20(2)33-26(29-19)18-25(30-33)21-7-6-8-22(28)17-21/h3-10,17-18H,11-16H2,1-2H3.
What are the key properties of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one?
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 457.55 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 20863221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).