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

C25H29N3O3S — CID 46274233

IUPACN-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1CCc1cccs1
InChIInChI=1S/C25H29N3O3S/c1-25(24(30)26-18-7-3-2-4-8-18)17-27-20(22-10-5-15-31-22)11-12-21(27)23(29)28(25)14-13-19-9-6-16-32-19/h5-6,9-12,15-16,18H,2-4,7-8,13-14,17H2,1H3,(H,26,30)
InChIKeyAMLQKXUPQHKFEL-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.72
Rot. Bonds6

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

N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274233) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46274233
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1CCc1cccs1
InChIInChI=1S/C25H29N3O3S/c1-25(24(30)26-18-7-3-2-4-8-18)17-27-20(22-10-5-15-31-22)11-12-21(27)23(29)28(25)14-13-19-9-6-16-32-19/h5-6,9-12,15-16,18H,2-4,7-8,13-14,17H2,1H3,(H,26,30)
InChIKeyAMLQKXUPQHKFEL-UHFFFAOYSA-N
XLogP4.72
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274233) is N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1CCc1cccs1.
What is the InChIKey of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is AMLQKXUPQHKFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-25(24(30)26-18-7-3-2-4-8-18)17-27-20(22-10-5-15-31-22)11-12-21(27)23(29)28(25)14-13-19-9-6-16-32-19/h5-6,9-12,15-16,18H,2-4,7-8,13-14,17H2,1H3,(H,26,30).
What are the key properties of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 451.59 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(2-thiophen-2-ylethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).