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

C24H27N3O3S — CID 46274224

IUPACN-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccs1
InChIInChI=1S/C24H27N3O3S/c1-24(23(29)25-17-7-3-2-4-8-17)16-26-19(21-10-5-13-30-21)11-12-20(26)22(28)27(24)15-18-9-6-14-31-18/h5-6,9-14,17H,2-4,7-8,15-16H2,1H3,(H,25,29)
InChIKeyWRZRQZKKPWSYEW-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.67
Rot. Bonds5

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

N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274224) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46274224
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccs1
InChIInChI=1S/C24H27N3O3S/c1-24(23(29)25-17-7-3-2-4-8-17)16-26-19(21-10-5-13-30-21)11-12-20(26)22(28)27(24)15-18-9-6-14-31-18/h5-6,9-14,17H,2-4,7-8,15-16H2,1H3,(H,25,29)
InChIKeyWRZRQZKKPWSYEW-UHFFFAOYSA-N
XLogP4.67
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.67
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-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274224) is N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-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-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NC2CCCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccs1.
What is the InChIKey of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is WRZRQZKKPWSYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-24(23(29)25-17-7-3-2-4-8-17)16-26-19(21-10-5-13-30-21)11-12-20(26)22(28)27(24)15-18-9-6-14-31-18/h5-6,9-14,17H,2-4,7-8,15-16H2,1H3,(H,25,29).
What are the key properties of N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclohexyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 437.57 g/mol, XLogP of 4.67, 5 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-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).