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

C23H31N3O3 — CID 46274265

IUPAC6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCCN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C23H31N3O3/c1-4-13-26-21(27)19-12-11-18(20-6-5-14-29-20)25(19)15-23(26,3)22(28)24-17-9-7-16(2)8-10-17/h5-6,11-12,14,16-17H,4,7-10,13,15H2,1-3H3,(H,24,28)
InChIKeyITRSYQPPDBCJPX-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.07
Rot. Bonds5

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

6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274265) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46274265
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCCN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C23H31N3O3/c1-4-13-26-21(27)19-12-11-18(20-6-5-14-29-20)25(19)15-23(26,3)22(28)24-17-9-7-16(2)8-10-17/h5-6,11-12,14,16-17H,4,7-10,13,15H2,1-3H3,(H,24,28)
InChIKeyITRSYQPPDBCJPX-UHFFFAOYSA-N
XLogP4.07
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274282
(3R)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741127
(3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741130
(3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704963
(3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741154
6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274268
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
N-cyclohexyl-6-(furan-2-yl)-2-[2-(furan-2-yl)ethyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46261229
(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741302
N-cycloheptyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-piperidin-1-ylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274384
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-phenylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274218
(3R)-N-cyclohexyl-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741019

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274265) is 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CCCN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NC1CCC(C)CC1.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is ITRSYQPPDBCJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-4-13-26-21(27)19-12-11-18(20-6-5-14-29-20)25(19)15-23(26,3)22(28)24-17-9-7-16(2)8-10-17/h5-6,11-12,14,16-17H,4,7-10,13,15H2,1-3H3,(H,24,28).
What are the key properties of 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 397.52 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).