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

C25H33N3O4 — CID 46274268

IUPAC6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1CCC(NC(=O)C2(C)Cn3c(ccc3-c3ccco3)C(=O)N2CC2CCCO2)CC1
InChIInChI=1S/C25H33N3O4/c1-17-7-9-18(10-8-17)26-24(30)25(2)16-27-20(22-6-4-14-32-22)11-12-21(27)23(29)28(25)15-19-5-3-13-31-19/h4,6,11-12,14,17-19H,3,5,7-10,13,15-16H2,1-2H3,(H,26,30)
InChIKeyJXHVLKLRFCHNMG-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.84
Rot. Bonds5

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

6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274268) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46274268
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1CCC(NC(=O)C2(C)Cn3c(ccc3-c3ccco3)C(=O)N2CC2CCCO2)CC1
InChIInChI=1S/C25H33N3O4/c1-17-7-9-18(10-8-17)26-24(30)25(2)16-27-20(22-6-4-14-32-22)11-12-21(27)23(29)28(25)15-19-5-3-13-31-19/h4,6,11-12,14,17-19H,3,5,7-10,13,15-16H2,1-2H3,(H,26,30)
InChIKeyJXHVLKLRFCHNMG-UHFFFAOYSA-N
XLogP3.84
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 53298936
6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274265
(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-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741154
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
(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
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
(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
(3R)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92886515
(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
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
(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92734799

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 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) is 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-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-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1CCC(NC(=O)C2(C)Cn3c(ccc3-c3ccco3)C(=O)N2CC2CCCO2)CC1.
What is the InChIKey of 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is JXHVLKLRFCHNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-17-7-9-18(10-8-17)26-24(30)25(2)16-27-20(22-6-4-14-32-22)11-12-21(27)23(29)28(25)15-19-5-3-13-31-19/h4,6,11-12,14,17-19H,3,5,7-10,13,15-16H2,1-2H3,(H,26,30).
What are the key properties of 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).