propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate

C26H36N6O4 — CID 71201468

IUPACpropan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCCOCCN(C)c1ccc(-n2ncc3c(OC4CCN(C(=O)OC(C)C)CC4)ncnc32)c(C)c1
InChIInChI=1S/C26H36N6O4/c1-6-34-14-13-30(5)20-7-8-23(19(4)15-20)32-24-22(16-29-32)25(28-17-27-24)36-21-9-11-31(12-10-21)26(33)35-18(2)3/h7-8,15-18,21H,6,9-14H2,1-5H3
InChIKeyKNQVABLMFUKNLB-UHFFFAOYSA-N
MW496.61 g/mol
LogP3.98
Rot. Bonds9

About propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 71201468) has the molecular formula C26H36N6O4 and a molecular weight of 496.61 g/mol. Its IUPAC name is propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
PubChem CID71201468
Molecular FormulaC26H36N6O4
Molecular Weight496.61 g/mol
Exact Mass496.28
IUPAC Namepropan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
SMILESCCOCCN(C)c1ccc(-n2ncc3c(OC4CCN(C(=O)OC(C)C)CC4)ncnc32)c(C)c1
InChIInChI=1S/C26H36N6O4/c1-6-34-14-13-30(5)20-7-8-23(19(4)15-20)32-24-22(16-29-32)25(28-17-27-24)36-21-9-11-31(12-10-21)26(33)35-18(2)3/h7-8,15-18,21H,6,9-14H2,1-5H3
InChIKeyKNQVABLMFUKNLB-UHFFFAOYSA-N
XLogP3.98
TPSA94.84 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate 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

propan-2-yl 4-[1-(2-fluoro-4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57496329
propan-2-yl 4-[1-(2-fluoro-4-propanoyl-3-sulfamoylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 174570973
propan-2-yl 4-[1-[4-(2-methoxyethylamino)phenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 57496318
butyl 4-[1-[2-(dimethylamino)-4-methylsulfonylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 150596065
propan-2-yl 4-[6-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 46701216
propan-2-yl 4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 58484438
propan-2-yl 4-[4-(1,5-dioxaspiro[5.5]undecan-9-yloxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 53258244
propan-2-yl 4-[6-[(6-isocyano-4-methyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58671563
tert-butyl formate;N,N-dimethyl-2-[2-[4-(1-methylpiperidin-4-yl)oxypyrazolo[5,4-d]pyrimidin-1-yl]-5-methylsulfanylphenoxy]ethanamine
CID 142990323
propan-2-yl 4-[5-cyano-6-[4-[3-(dimethylamino)propyl]-2-fluoroanilino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 58254524
propan-2-yl 4-[4-(4-ethoxy-2-fluorophenoxy)pyrazolo[5,4-d]pyrimidin-1-yl]piperidine-1-carboxylate
CID 44514107
propan-2-yl 4-[5-methyl-6-[[2-methyl-6-(2-propan-2-yloxyethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856722

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate (CID 71201468) is propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate is CCOCCN(C)c1ccc(-n2ncc3c(OC4CCN(C(=O)OC(C)C)CC4)ncnc32)c(C)c1.
What is the InChIKey of propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is KNQVABLMFUKNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6O4/c1-6-34-14-13-30(5)20-7-8-23(19(4)15-20)32-24-22(16-29-32)25(28-17-27-24)36-21-9-11-31(12-10-21)26(33)35-18(2)3/h7-8,15-18,21H,6,9-14H2,1-5H3.
What are the key properties of propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 496.61 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[1-[4-[2-ethoxyethyl(methyl)amino]-2-methylphenyl]pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 71201468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).