[3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium

C23H34N5O2+ — CID 7440570

IUPAC[3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium
SMILESCOc1ccc(-c2cc3nc(C)c(C)c(NCC(C)(C)C[NH+](C)C)n3n2)cc1OC
InChIInChI=1S/C23H33N5O2/c1-15-16(2)25-21-12-18(17-9-10-19(29-7)20(11-17)30-8)26-28(21)22(15)24-13-23(3,4)14-27(5)6/h9-12,24H,13-14H2,1-8H3/p+1
InChIKeyOUMMMMIDPXIZRJ-UHFFFAOYSA-O
MW412.56 g/mol
LogP2.61
Rot. Bonds8

About [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium

[3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium (PubChem CID 7440570) has the molecular formula C23H34N5O2+ and a molecular weight of 412.56 g/mol. Its IUPAC name is [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium.

Molecular Properties

Compound Name[3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium
PubChem CID7440570
Molecular FormulaC23H34N5O2+
Molecular Weight412.56 g/mol
Exact Mass412.27
IUPAC Name[3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium
SMILESCOc1ccc(-c2cc3nc(C)c(C)c(NCC(C)(C)C[NH+](C)C)n3n2)cc1OC
InChIInChI=1S/C23H33N5O2/c1-15-16(2)25-21-12-18(17-9-10-19(29-7)20(11-17)30-8)26-28(21)22(15)24-13-23(3,4)14-27(5)6/h9-12,24H,13-14H2,1-8H3/p+1
InChIKeyOUMMMMIDPXIZRJ-UHFFFAOYSA-O
XLogP2.61
TPSA65.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium 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

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
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 1434726
diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium
CID 7440560
[2,2-dimethyl-3-[[11-(3-methylphenyl)-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]amino]propyl]-dimethylazanium
CID 7440614
N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 3422642
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 20895223
N-[2-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 71779752
4-(3,4-dimethoxyphenyl)-N-(2,2-dimethylpropyl)-6-methylpyrimidin-2-amine
CID 70810179
6-(3,4-dimethoxyphenyl)-2-methyl-3-phenylimidazo[1,2-b]pyridazine
CID 141201904
2-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2823490
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 1441069
3-[[2-(3-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-diethylazanium
CID 7440565

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The IUPAC name of [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium (CID 7440570) is [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium.
What is the SMILES notation for [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The canonical SMILES for [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium is COc1ccc(-c2cc3nc(C)c(C)c(NCC(C)(C)C[NH+](C)C)n3n2)cc1OC.
What is the InChIKey of [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium?
The InChIKey is OUMMMMIDPXIZRJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H33N5O2/c1-15-16(2)25-21-12-18(17-9-10-19(29-7)20(11-17)30-8)26-28(21)22(15)24-13-23(3,4)14-27(5)6/h9-12,24H,13-14H2,1-8H3/p+1.
What are the key properties of [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium?
[3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium has a molecular weight of 412.56 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium is sourced from PubChem (CID 7440570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).