[4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate

C17H25N5O4 — CID 174644915

IUPAC[4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCOc1nc(OC)c2cnn(C3CCN(OC(=O)C(C)(C)C)CC3)c2n1
InChIInChI=1S/C17H25N5O4/c1-17(2,3)15(23)26-21-8-6-11(7-9-21)22-13-12(10-18-22)14(24-4)20-16(19-13)25-5/h10-11H,6-9H2,1-5H3
InChIKeyBTXPDMJTEFZKAK-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.98
Rot. Bonds4

About [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate

[4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174644915) has the molecular formula C17H25N5O4 and a molecular weight of 363.42 g/mol. Its IUPAC name is [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174644915
Molecular FormulaC17H25N5O4
Molecular Weight363.42 g/mol
Exact Mass363.19
IUPAC Name[4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCOc1nc(OC)c2cnn(C3CCN(OC(=O)C(C)(C)C)CC3)c2n1
InChIInChI=1S/C17H25N5O4/c1-17(2,3)15(23)26-21-8-6-11(7-9-21)22-13-12(10-18-22)14(24-4)20-16(19-13)25-5/h10-11H,6-9H2,1-5H3
InChIKeyBTXPDMJTEFZKAK-UHFFFAOYSA-N
XLogP1.98
TPSA91.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate 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

[4-[6-(methylamino)-3-pyridinyl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 175024040
[4-(6-aminopyrazin-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174721981
methyl 1-(2,2-dimethylpropanoyloxy)piperidine-4-carboxylate
CID 174789699
[4-[6-chloro-4-(2-methylmorpholin-4-yl)pyrazolo[5,4-d]pyrimidin-1-yl]piperidin-1-yl] acetate
CID 174604410
[4-(5,6,8,9-tetraoxo-1,4-dihydropyrrolo[3,4-g]quinoxalin-7-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174502315
6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 115571620
[(3S)-3-(5-chloro-4-nitropyrazol-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175301646
[4-(1,3-dioxoisoindol-2-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 175267602
[4-[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-5-methylpyrazol-1-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174629034
(4-carbonochloridoylpiperidin-1-yl) 2,2-dimethylpropanoate
CID 174442879
[4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2-dimethylpropanoate
CID 174494901
[4-(naphthalen-1-ylmethyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174776993

Frequently Asked Questions

What is the IUPAC name of [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174644915) is [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate is COc1nc(OC)c2cnn(C3CCN(OC(=O)C(C)(C)C)CC3)c2n1.
What is the InChIKey of [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is BTXPDMJTEFZKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4/c1-17(2,3)15(23)26-21-8-6-11(7-9-21)22-13-12(10-18-22)14(24-4)20-16(19-13)25-5/h10-11H,6-9H2,1-5H3.
What are the key properties of [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate?
[4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 363.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,6-dimethoxypyrazolo[5,4-d]pyrimidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174644915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).