methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate

C20H25N3O3 — CID 92703543

IUPACmethyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate
SMILESCCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C20H25N3O3/c1-4-7-17-18-11-10-14(2)22(18)12-13-23(17)20(25)21-16-9-6-5-8-15(16)19(24)26-3/h5-6,8-11,17H,4,7,12-13H2,1-3H3,(H,21,25)/t17-/m1/s1
InChIKeyJJMSTRILCZXVNA-QGZVFWFLSA-N
MW355.44 g/mol
LogP3.97
Rot. Bonds4

About methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate

methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate (PubChem CID 92703543) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate
PubChem CID92703543
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Namemethyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate
SMILESCCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C20H25N3O3/c1-4-7-17-18-11-10-14(2)22(18)12-13-23(17)20(25)21-16-9-6-5-8-15(16)19(24)26-3/h5-6,8-11,17H,4,7,12-13H2,1-3H3,(H,21,25)/t17-/m1/s1
InChIKeyJJMSTRILCZXVNA-QGZVFWFLSA-N
XLogP3.97
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(2-ethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510469
N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510478
(1R)-N-(3-methoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703545
ethyl 4-[[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate
CID 92703552
(1S)-N-(2-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711977
N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510383
ethyl 1-[(2-methoxycarbonylphenyl)carbamoyl]piperidine-2-carboxylate
CID 3362158
6-methyl-N-(2-methylphenyl)-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965221
methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
ethyl 2-[[(1S)-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate
CID 92711277
(1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703589
methyl 2-[[(1S)-6,7-dimethoxy-1-(2-methoxy-2-oxoethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate
CID 92711267

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate (CID 92703543) is methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate is CCC[C@@H]1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate?
The InChIKey is JJMSTRILCZXVNA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-4-7-17-18-11-10-14(2)22(18)12-13-23(17)20(25)21-16-9-6-5-8-15(16)19(24)26-3/h5-6,8-11,17H,4,7,12-13H2,1-3H3,(H,21,25)/t17-/m1/s1.
What are the key properties of methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate?
methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate has a molecular weight of 355.44 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 92703543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).