1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C21H26N6O — CID 42679682

IUPAC1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(C)nc3c2cnn3-c2ccc(C)cc2C)CC1
InChIInChI=1S/C21H26N6O/c1-5-19(28)25-8-10-26(11-9-25)20-17-13-22-27(21(17)24-16(4)23-20)18-7-6-14(2)12-15(18)3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyFLKSTSQOKRSIPR-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.80
Rot. Bonds3

About 1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 42679682) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID42679682
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2nc(C)nc3c2cnn3-c2ccc(C)cc2C)CC1
InChIInChI=1S/C21H26N6O/c1-5-19(28)25-8-10-26(11-9-25)20-17-13-22-27(21(17)24-16(4)23-20)18-7-6-14(2)12-15(18)3/h6-7,12-13H,5,8-11H2,1-4H3
InChIKeyFLKSTSQOKRSIPR-UHFFFAOYSA-N
XLogP2.80
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 42671817
1-[4-[1-(4-fluorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 42671981
1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 42675631
4-chloro-1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidine
CID 43381639
(4-methoxyphenyl)-[4-[6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42673559
cyclobutyl-[4-[6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 42673572
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704533
1-[4-(2-bromo-4-methylphenyl)piperazin-1-yl]propan-1-one
CID 113079456
1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 4542156
cyclopentyl-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42671820
furan-2-yl-[4-[6-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methanone
CID 42673570
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-ethoxybutan-1-one
CID 56805694

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 42679682) is 1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2nc(C)nc3c2cnn3-c2ccc(C)cc2C)CC1.
What is the InChIKey of 1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is FLKSTSQOKRSIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-5-19(28)25-8-10-26(11-9-25)20-17-13-22-27(21(17)24-16(4)23-20)18-7-6-14(2)12-15(18)3/h6-7,12-13H,5,8-11H2,1-4H3.
What are the key properties of 1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 378.48 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(2,4-dimethylphenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 42679682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).