2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

C21H27N5O2 — CID 1434726

IUPAC2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)c(C)c(N4CCN(C)CC4)n3n2)cc1OC
InChIInChI=1S/C21H27N5O2/c1-14-15(2)22-20-13-17(16-6-7-18(27-4)19(12-16)28-5)23-26(20)21(14)25-10-8-24(3)9-11-25/h6-7,12-13H,8-11H2,1-5H3
InChIKeyPGLRCEBIFTWDSM-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.78
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 1434726) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID1434726
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc3nc(C)c(C)c(N4CCN(C)CC4)n3n2)cc1OC
InChIInChI=1S/C21H27N5O2/c1-14-15(2)22-20-13-17(16-6-7-18(27-4)19(12-16)28-5)23-26(20)21(14)25-10-8-24(3)9-11-25/h6-7,12-13H,8-11H2,1-5H3
InChIKeyPGLRCEBIFTWDSM-UHFFFAOYSA-N
XLogP2.78
TPSA55.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441109
7-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 1441107
5,6-dimethyl-7-piperazin-1-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 82270589
[3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 7440570
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895223
6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine
CID 141201904
7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine
CID 20805928
N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 71779752
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823490
2-(3,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;2-(4-methoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 159440378
N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 1441328

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 1434726) is 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is COc1ccc(-c2cc3nc(C)c(C)c(N4CCN(C)CC4)n3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is PGLRCEBIFTWDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-15(2)22-20-13-17(16-6-7-18(27-4)19(12-16)28-5)23-26(20)21(14)25-10-8-24(3)9-11-25/h6-7,12-13H,8-11H2,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 381.48 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 1434726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).