ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate

C23H28N4O5S — CID 50838625

IUPACethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnn4c(C)cc(C)nc34)ccc2OC)CC1
InChIInChI=1S/C23H28N4O5S/c1-5-32-23(28)17-8-10-26(11-9-17)33(29,30)21-13-18(6-7-20(21)31-4)19-14-24-27-16(3)12-15(2)25-22(19)27/h6-7,12-14,17H,5,8-11H2,1-4H3
InChIKeyGWQDKVHKPLLKCU-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.99
Rot. Bonds6

About ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate

ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate (PubChem CID 50838625) has the molecular formula C23H28N4O5S and a molecular weight of 472.57 g/mol. Its IUPAC name is ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
PubChem CID50838625
Molecular FormulaC23H28N4O5S
Molecular Weight472.57 g/mol
Exact Mass472.18
IUPAC Nameethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnn4c(C)cc(C)nc34)ccc2OC)CC1
InChIInChI=1S/C23H28N4O5S/c1-5-32-23(28)17-8-10-26(11-9-17)33(29,30)21-13-18(6-7-20(21)31-4)19-14-24-27-16(3)12-15(2)25-22(19)27/h6-7,12-14,17H,5,8-11H2,1-4H3
InChIKeyGWQDKVHKPLLKCU-UHFFFAOYSA-N
XLogP2.99
TPSA103.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]sulfonylpiperidine-4-carboxylate
CID 53117908
ethyl 1-[5-(5-acetamido-3-ethyl-1,2-oxazol-4-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate
CID 53133193
N-(2-chloro-6-methylphenyl)-5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxybenzenesulfonamide
CID 46394961
ethyl 1-(4,5-dimethoxy-2-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 35291596
5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 46394947
3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134613
ethyl 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116367
3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134680
N-(3-ethylphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 46395939
[3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
CID 53134620
3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethyl-N-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134650
N-(2-methoxyphenyl)-3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 53134649

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate (CID 50838625) is ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2cc(-c3cnn4c(C)cc(C)nc34)ccc2OC)CC1.
What is the InChIKey of ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate?
The InChIKey is GWQDKVHKPLLKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5S/c1-5-32-23(28)17-8-10-26(11-9-17)33(29,30)21-13-18(6-7-20(21)31-4)19-14-24-27-16(3)12-15(2)25-22(19)27/h6-7,12-14,17H,5,8-11H2,1-4H3.
What are the key properties of ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate?
ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate has a molecular weight of 472.57 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-2-methoxyphenyl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 50838625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).