3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide

C27H30N6O3 — CID 157457117

IUPAC3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(C)c(Oc3nc(N4CC(C)OC(C)C4)nc4nn(C)cc34)c2)c1
InChIInChI=1S/C27H30N6O3/c1-16-7-6-8-21(11-16)28-25(34)20-10-9-17(2)23(12-20)36-26-22-15-32(5)31-24(22)29-27(30-26)33-13-18(3)35-19(4)14-33/h6-12,15,18-19H,13-14H2,1-5H3,(H,28,34)
InChIKeyUXHHJIIMOZPLOQ-UHFFFAOYSA-N
MW486.58 g/mol
LogP4.64
Rot. Bonds5

About 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide

3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide (PubChem CID 157457117) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide
PubChem CID157457117
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(C)c(Oc3nc(N4CC(C)OC(C)C4)nc4nn(C)cc34)c2)c1
InChIInChI=1S/C27H30N6O3/c1-16-7-6-8-21(11-16)28-25(34)20-10-9-17(2)23(12-20)36-26-22-15-32(5)31-24(22)29-27(30-26)33-13-18(3)35-19(4)14-33/h6-12,15,18-19H,13-14H2,1-5H3,(H,28,34)
InChIKeyUXHHJIIMOZPLOQ-UHFFFAOYSA-N
XLogP4.64
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide 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-[2-(2,6-dimethylmorpholin-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-4-yl]oxy-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 146556228
3-[2-(2,6-dimethylmorpholin-4-yl)-9-methylpurin-6-yl]oxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146555940
N-[4-methyl-3-(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 146556145
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-methylphenyl)propanamide
CID 771759
2,4-dimethyl-N-(3-methylphenyl)-3-oxo-1,4-benzoxazine-7-carboxamide
CID 110682955
3-[[6-(2,6-dimethylmorpholin-4-yl)pyrimido[5,4-d]pyrimidin-4-yl]amino]-N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 77397939
(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 27210785
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
1-N-cyclopentyl-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109044466
2-[3-[2-(2,6-dimethylmorpholin-4-yl)-9-methylpurin-6-yl]oxyphenyl]-1-(3-methylphenyl)ethanone
CID 159114038
2-bromo-N-(3-methylphenyl)pyridine-4-carboxamide
CID 86695841

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide (CID 157457117) is 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(C)c(Oc3nc(N4CC(C)OC(C)C4)nc4nn(C)cc34)c2)c1.
What is the InChIKey of 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide?
The InChIKey is UXHHJIIMOZPLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-16-7-6-8-21(11-16)28-25(34)20-10-9-17(2)23(12-20)36-26-22-15-32(5)31-24(22)29-27(30-26)33-13-18(3)35-19(4)14-33/h6-12,15,18-19H,13-14H2,1-5H3,(H,28,34).
What are the key properties of 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide?
3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide has a molecular weight of 486.58 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,6-dimethylmorpholin-4-yl)-2-methylpyrazolo[3,4-d]pyrimidin-4-yl]oxy-4-methyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 157457117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).