2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C29H35N3O4 — CID 46274422

IUPAC2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCOc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NC1CCCCC1C
InChIInChI=1S/C29H35N3O4/c1-4-35-25-13-8-6-11-21(25)18-32-27(33)24-16-15-23(26-14-9-17-36-26)31(24)19-29(32,3)28(34)30-22-12-7-5-10-20(22)2/h6,8-9,11,13-17,20,22H,4-5,7,10,12,18-19H2,1-3H3,(H,30,34)
InChIKeyMTQIQJRXLIQSLF-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.26
Rot. Bonds7

About 2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274422) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46274422
Molecular FormulaC29H35N3O4
Molecular Weight489.62 g/mol
Exact Mass489.26
IUPAC Name2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCOc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NC1CCCCC1C
InChIInChI=1S/C29H35N3O4/c1-4-35-25-13-8-6-11-21(25)18-32-27(33)24-16-15-23(26-14-9-17-36-26)31(24)19-29(32,3)28(34)30-22-12-7-5-10-20(22)2/h6,8-9,11,13-17,20,22H,4-5,7,10,12,18-19H2,1-3H3,(H,30,34)
InChIKeyMTQIQJRXLIQSLF-UHFFFAOYSA-N
XLogP5.26
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274316
(11R)-10-[(2-ethoxyphenyl)methyl]-11-methyl-N-[(1S,2R)-2-methylcyclohexyl]-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 129420285
N-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554270
(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741333
N-cyclohexyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274220
N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274362
6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274270
(3R)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 98664822
(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741360
(3R)-N-cyclooctyl-2-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704985
(3R)-2-[(2-chlorophenyl)methyl]-N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704976
10-[(2-methoxyphenyl)methyl]-11-methyl-N-(2-methylcyclohexyl)-9-oxo-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 50756812

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274422) is 2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CCOc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NC1CCCCC1C.
What is the InChIKey of 2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is MTQIQJRXLIQSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-4-35-25-13-8-6-11-21(25)18-32-27(33)24-16-15-23(26-14-9-17-36-26)31(24)19-29(32,3)28(34)30-22-12-7-5-10-20(22)2/h6,8-9,11,13-17,20,22H,4-5,7,10,12,18-19H2,1-3H3,(H,30,34).
What are the key properties of 2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).