1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone

C26H28N6O — CID 143649558

IUPAC1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone
SMILESCNc1c(-c2ccc(C)cc2)cnc2c(-c3cccc(N4CCN(C(C)=O)CC4)c3)cnn12
InChIInChI=1S/C26H28N6O/c1-18-7-9-20(10-8-18)23-16-28-26-24(17-29-32(26)25(23)27-3)21-5-4-6-22(15-21)31-13-11-30(12-14-31)19(2)33/h4-10,15-17,27H,11-14H2,1-3H3
InChIKeyJCWZUWFCLWEBFW-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.08
Rot. Bonds4

About 1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone

1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone (PubChem CID 143649558) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone
PubChem CID143649558
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone
SMILESCNc1c(-c2ccc(C)cc2)cnc2c(-c3cccc(N4CCN(C(C)=O)CC4)c3)cnn12
InChIInChI=1S/C26H28N6O/c1-18-7-9-20(10-8-18)23-16-28-26-24(17-29-32(26)25(23)27-3)21-5-4-6-22(15-21)31-13-11-30(12-14-31)19(2)33/h4-10,15-17,27H,11-14H2,1-3H3
InChIKeyJCWZUWFCLWEBFW-UHFFFAOYSA-N
XLogP4.08
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[3-methoxy-4-(methylamino)phenyl]-N-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143649548
benzyl 4-[3-[7-amino-6-(4-aminophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazine-1-carboxylate
CID 59176707
4-[4-[7-amino-3-[3-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]butyl carbamate
CID 151414123
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
1-[4-[3-(4-amino-2,6-dimethylthieno[2,3-b]pyridin-3-yl)phenyl]piperazin-1-yl]ethanone
CID 118402544
6-(4-aminophenyl)-3-[3,5-bis(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 68705646
6-(3,4-difluorophenyl)-5-methyl-3-[3-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 11697777
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
2-[4-[3-[7-amino-6-(3,4-difluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanol
CID 11669878
1-[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]azetidin-1-yl]ethanone
CID 90513796
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548
4-(3-acetamidophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107155

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone (CID 143649558) is 1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone is CNc1c(-c2ccc(C)cc2)cnc2c(-c3cccc(N4CCN(C(C)=O)CC4)c3)cnn12.
What is the InChIKey of 1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone?
The InChIKey is JCWZUWFCLWEBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-18-7-9-20(10-8-18)23-16-28-26-24(17-29-32(26)25(23)27-3)21-5-4-6-22(15-21)31-13-11-30(12-14-31)19(2)33/h4-10,15-17,27H,11-14H2,1-3H3.
What are the key properties of 1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone?
1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone has a molecular weight of 440.55 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[7-(methylamino)-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 143649558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).