6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

C19H22N4O3 — CID 157036621

IUPAC6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnn3cc(N4CC(C)C4)cnc23)cc(OC)c1OC
InChIInChI=1S/C19H22N4O3/c1-12-9-22(10-12)14-7-20-19-15(8-21-23(19)11-14)13-5-16(24-2)18(26-4)17(6-13)25-3/h5-8,11-12H,9-10H2,1-4H3
InChIKeyFSCJUKRWAVZFQN-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.88
Rot. Bonds5

About 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine

6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 157036621) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
PubChem CID157036621
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnn3cc(N4CC(C)C4)cnc23)cc(OC)c1OC
InChIInChI=1S/C19H22N4O3/c1-12-9-22(10-12)14-7-20-19-15(8-21-23(19)11-14)13-5-16(24-2)18(26-4)17(6-13)25-3/h5-8,11-12H,9-10H2,1-4H3
InChIKeyFSCJUKRWAVZFQN-UHFFFAOYSA-N
XLogP2.88
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)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

3-(3,4-dimethoxy-5-methylphenyl)-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine
CID 130188353
1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]azetidin-3-ol
CID 142464334
3-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 16740482
3-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethyl-3-azabicyclo[3.1.0]hexan-6-amine
CID 146663932
1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-N,N-dimethylpiperidin-4-amine
CID 142464391
N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 24866388
4-[6-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464185
N-methyl-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 141119651
1-[2,6-dimethoxy-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]-4,4-difluorobutan-1-one
CID 159738565
1,4-bis[6-(3,4,5-trimethoxyphenyl)-3-pyridinyl]piperazine
CID 22485481
7-fluoro-6-methoxy-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464191
2-[1-[3-(6-methoxy-7-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]oxy-N,N-dimethylethanamine
CID 159460269

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine (CID 157036621) is 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2cnn3cc(N4CC(C)C4)cnc23)cc(OC)c1OC.
What is the InChIKey of 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is FSCJUKRWAVZFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-9-22(10-12)14-7-20-19-15(8-21-23(19)11-14)13-5-16(24-2)18(26-4)17(6-13)25-3/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine?
6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 354.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylazetidin-1-yl)-3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 157036621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).