ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate

C24H27F3N4O4 — CID 142336797

IUPACethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)CC1
InChIInChI=1S/C24H27F3N4O4/c1-3-35-23(34)29-11-8-17(9-12-29)28-21(32)19-10-13-30-15(2)14-31(22(33)20(19)30)18-6-4-16(5-7-18)24(25,26)27/h4-7,10,13,15,17H,3,8-9,11-12,14H2,1-2H3,(H,28,32)/t15-/m0/s1
InChIKeySXHCUMNRQRYIDF-HNNXBMFYSA-N
MW492.50 g/mol
LogP4.08
Rot. Bonds4

About ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 142336797) has the molecular formula C24H27F3N4O4 and a molecular weight of 492.50 g/mol. Its IUPAC name is ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate
PubChem CID142336797
Molecular FormulaC24H27F3N4O4
Molecular Weight492.50 g/mol
Exact Mass492.20
IUPAC Nameethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2ccn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)CC1
InChIInChI=1S/C24H27F3N4O4/c1-3-35-23(34)29-11-8-17(9-12-29)28-21(32)19-10-13-30-15(2)14-31(22(33)20(19)30)18-6-4-16(5-7-18)24(25,26)27/h4-7,10,13,15,17H,3,8-9,11-12,14H2,1-2H3,(H,28,32)/t15-/m0/s1
InChIKeySXHCUMNRQRYIDF-HNNXBMFYSA-N
XLogP4.08
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-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

(4S)-4-methyl-N-(2-methyl-3-pyridinyl)-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336701
ethyl 4-[3-[4-(trifluoromethyl)anilino]propanoylamino]piperidine-1-carboxylate
CID 109028870
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
1-oxo-N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463452
ethyl 4-[[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31542255
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 110451817
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
benzyl 4-[[4-(trifluoromethyl)benzoyl]amino]piperidine-1-carboxylate
CID 108563054
ethyl 4-[[N-ethyl-N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111329161
ethyl 4-[3-(4-tert-butylanilino)propanoylamino]piperidine-1-carboxylate
CID 109028844
ethyl 4-[[2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carbonyl]amino]piperidine-1-carboxylate
CID 7708936

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate (CID 142336797) is ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2ccn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)CC1.
What is the InChIKey of ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is SXHCUMNRQRYIDF-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H27F3N4O4/c1-3-35-23(34)29-11-8-17(9-12-29)28-21(32)19-10-13-30-15(2)14-31(22(33)20(19)30)18-6-4-16(5-7-18)24(25,26)27/h4-7,10,13,15,17H,3,8-9,11-12,14H2,1-2H3,(H,28,32)/t15-/m0/s1.
What are the key properties of ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 492.50 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4S)-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 142336797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).