2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

C24H26N6O — CID 46299322

IUPAC2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nn3c(N4CCN(c5ccccn5)CC4)cc(C)nc3c2C)cc1
InChIInChI=1S/C24H26N6O/c1-17-16-22(29-14-12-28(13-15-29)21-6-4-5-11-25-21)30-24(26-17)18(2)23(27-30)19-7-9-20(31-3)10-8-19/h4-11,16H,12-15H2,1-3H3
InChIKeyRRLJSOFTZQMCDT-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 46299322) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID46299322
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2nn3c(N4CCN(c5ccccn5)CC4)cc(C)nc3c2C)cc1
InChIInChI=1S/C24H26N6O/c1-17-16-22(29-14-12-28(13-15-29)21-6-4-5-11-25-21)30-24(26-17)18(2)23(27-30)19-7-9-20(31-3)10-8-19/h4-11,16H,12-15H2,1-3H3
InChIKeyRRLJSOFTZQMCDT-UHFFFAOYSA-N
XLogP3.74
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4-(4-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 46299337
3,5-dimethyl-2-(4-methylphenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 46299369
7-(4-benzylpiperazin-1-yl)-2-(4-chlorophenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 46299395
7-methoxy-2-methyl-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 110434229
3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 16668295
7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 20861586
3-(2-chlorophenyl)-5-methyl-7-(4-pyridin-2-ylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 20895257
(Z)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 5413994
(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6896964
1-ethyl-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556321
5-(4-methoxyphenyl)-4-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512230
1-[4-[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethanone
CID 16674762

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 46299322) is 2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2nn3c(N4CCN(c5ccccn5)CC4)cc(C)nc3c2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RRLJSOFTZQMCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-17-16-22(29-14-12-28(13-15-29)21-6-4-5-11-25-21)30-24(26-17)18(2)23(27-30)19-7-9-20(31-3)10-8-19/h4-11,16H,12-15H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 414.51 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3,5-dimethyl-7-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46299322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).