ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate

C24H30N4O6 — CID 46077433

IUPACethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3n(n2)CCN(Cc2cc(OC)cc(OC)c2)C3=O)C1
InChIInChI=1S/C24H30N4O6/c1-4-34-24(31)17-6-5-7-26(15-17)22(29)20-13-21-23(30)27(8-9-28(21)25-20)14-16-10-18(32-2)12-19(11-16)33-3/h10-13,17H,4-9,14-15H2,1-3H3
InChIKeyNPYITSHFZHBPAM-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.97
Rot. Bonds7

About ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate

ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate (PubChem CID 46077433) has the molecular formula C24H30N4O6 and a molecular weight of 470.53 g/mol. Its IUPAC name is ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate
PubChem CID46077433
Molecular FormulaC24H30N4O6
Molecular Weight470.53 g/mol
Exact Mass470.22
IUPAC Nameethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc3n(n2)CCN(Cc2cc(OC)cc(OC)c2)C3=O)C1
InChIInChI=1S/C24H30N4O6/c1-4-34-24(31)17-6-5-7-26(15-17)22(29)20-13-21-23(30)27(8-9-28(21)25-20)14-16-10-18(32-2)12-19(11-16)33-3/h10-13,17H,4-9,14-15H2,1-3H3
InChIKeyNPYITSHFZHBPAM-UHFFFAOYSA-N
XLogP1.97
TPSA103.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-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

ethyl (3R)-1-[3-[[5-[(4-fluorophenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carbonyl]amino]propanoyl]piperidine-3-carboxylate
CID 93332116
(3R)-1-[5-[(2-chloro-6-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxamide
CID 93008790
ethyl 1-(1-ethyl-6-oxopyridazine-3-carbonyl)piperidine-3-carboxylate
CID 121066862
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-[7-(3-methoxyphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 93008972
ethyl (3S)-1-[1-(difluoromethyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylate
CID 51388847
ethyl 1-(6-chloropyridazine-3-carbonyl)piperidine-3-carboxylate
CID 60859036
ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
ethyl 1-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 55377333
5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-N-(2-phenoxyethyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078805

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate (CID 46077433) is ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc3n(n2)CCN(Cc2cc(OC)cc(OC)c2)C3=O)C1.
What is the InChIKey of ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate?
The InChIKey is NPYITSHFZHBPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O6/c1-4-34-24(31)17-6-5-7-26(15-17)22(29)20-13-21-23(30)27(8-9-28(21)25-20)14-16-10-18(32-2)12-19(11-16)33-3/h10-13,17H,4-9,14-15H2,1-3H3.
What are the key properties of ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate?
ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate has a molecular weight of 470.53 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-[(3,5-dimethoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 46077433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).