ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate

C24H28N4O4S — CID 53334369

IUPACethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CSc2nccn3nc(-c4ccc(OCC)cc4)cc23)CC1
InChIInChI=1S/C24H28N4O4S/c1-3-31-19-7-5-17(6-8-19)20-15-21-23(25-11-14-28(21)26-20)33-16-22(29)27-12-9-18(10-13-27)24(30)32-4-2/h5-8,11,14-15,18H,3-4,9-10,12-13,16H2,1-2H3
InChIKeyFNZKWASXBWCIKQ-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.69
Rot. Bonds8

About ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate (PubChem CID 53334369) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate
PubChem CID53334369
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Nameethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CSc2nccn3nc(-c4ccc(OCC)cc4)cc23)CC1
InChIInChI=1S/C24H28N4O4S/c1-3-31-19-7-5-17(6-8-19)20-15-21-23(25-11-14-28(21)26-20)33-16-22(29)27-12-9-18(10-13-27)24(30)32-4-2/h5-8,11,14-15,18H,3-4,9-10,12-13,16H2,1-2H3
InChIKeyFNZKWASXBWCIKQ-UHFFFAOYSA-N
XLogP3.69
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate with MolForge

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Related Compounds

N-(4-ethoxyphenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334287
1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid
CID 46507058
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-ethyl-N-phenylacetamide
CID 53334307
N-(2,3-dihydro-1H-inden-1-yl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334395
ethyl 2-[[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]amino]benzoate
CID 53334326
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 53334320
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 53334296
N-(2,4-dimethoxyphenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334299
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(4-fluorophenyl)-N-methylacetamide
CID 71824988
2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 71824995
N-(2-chloro-4-methylphenyl)-2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 53334329
N-cyclopentyl-2-[2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetamide
CID 27443656

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate (CID 53334369) is ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CSc2nccn3nc(-c4ccc(OCC)cc4)cc23)CC1.
What is the InChIKey of ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate?
The InChIKey is FNZKWASXBWCIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-3-31-19-7-5-17(6-8-19)20-15-21-23(25-11-14-28(21)26-20)33-16-22(29)27-12-9-18(10-13-27)24(30)32-4-2/h5-8,11,14-15,18H,3-4,9-10,12-13,16H2,1-2H3.
What are the key properties of ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate has a molecular weight of 468.58 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 53334369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).