ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate

C23H24N2O2 — CID 134950394

IUPACethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate
SMILESCCOC(=O)c1ccc([C@@H]2c3cccn3CCN2Cc2ccccc2)cc1
InChIInChI=1S/C23H24N2O2/c1-2-27-23(26)20-12-10-19(11-13-20)22-21-9-6-14-24(21)15-16-25(22)17-18-7-4-3-5-8-18/h3-14,22H,2,15-17H2,1H3/t22-/m1/s1
InChIKeyQYHWXDRQKMMVBF-JOCHJYFZSA-N
MW360.46 g/mol
LogP4.27
Rot. Bonds5

About ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate

ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate (PubChem CID 134950394) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate
PubChem CID134950394
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Nameethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate
SMILESCCOC(=O)c1ccc([C@@H]2c3cccn3CCN2Cc2ccccc2)cc1
InChIInChI=1S/C23H24N2O2/c1-2-27-23(26)20-12-10-19(11-13-20)22-21-9-6-14-24(21)15-16-25(22)17-18-7-4-3-5-8-18/h3-14,22H,2,15-17H2,1H3/t22-/m1/s1
InChIKeyQYHWXDRQKMMVBF-JOCHJYFZSA-N
XLogP4.27
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate with MolForge

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Related Compounds

3-Cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carboxylic acid
CID 514262
Ethyl 2-(3-aminophenyl)indolizine-1-carboxylate
CID 1481502
methyl 4-[(Z)-2-cyano-2-pyridin-2-ylethenyl]benzoate
CID 6070576
1-(4-Methoxycarbonyl-benzyl)-pyridinium
CID 23724200
4-(5-Pentylpyridin-2-yl)benzoic acid
CID 2053671
4-[1-Methyl-5-(5,5,8,8-tetramethyl-6,7-dihydroquinoxalin-2-yl)pyrrol-2-yl]benzoic acid
CID 10596501
5-(p-Ethoxycarbonylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine hydrochloride
CID 13688214
4-(5-Phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-benzoic acid ethyl ester
CID 44323946
Methyl 4-[1-(2-morpholin-4-ylethyl)indole-3-carbonyl]naphthalene-1-carboxylate
CID 72948426
Ethyl 4-(1-pentylindole-3-carbonyl)naphthalene-1-carboxylate
CID 72948428
Ethyl 4-(1-benzylindol-3-yl)benzoate
CID 118714099
(9-Methyl-9-azabicyclo[3.3.1]nonan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate
CID 118436580

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate?
The IUPAC name of ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate (CID 134950394) is ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate is CCOC(=O)c1ccc([C@@H]2c3cccn3CCN2Cc2ccccc2)cc1.
What is the InChIKey of ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate?
The InChIKey is QYHWXDRQKMMVBF-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-2-27-23(26)20-12-10-19(11-13-20)22-21-9-6-14-24(21)15-16-25(22)17-18-7-4-3-5-8-18/h3-14,22H,2,15-17H2,1H3/t22-/m1/s1.
What are the key properties of ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate?
ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate has a molecular weight of 360.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1R)-2-benzyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-1-yl]benzoate is sourced from PubChem (CID 134950394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).