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

C23H25N3O3S — CID 46274323

IUPACN-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccs1
InChIInChI=1S/C23H25N3O3S/c1-23(22(28)24-16-6-2-3-7-16)15-25-18(20-9-4-12-29-20)10-11-19(25)21(27)26(23)14-17-8-5-13-30-17/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,24,28)
InChIKeyBUQLZIAQWZAFSC-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.28
Rot. Bonds5

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

N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274323) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46274323
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccs1
InChIInChI=1S/C23H25N3O3S/c1-23(22(28)24-16-6-2-3-7-16)15-25-18(20-9-4-12-29-20)10-11-19(25)21(27)26(23)14-17-8-5-13-30-17/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,24,28)
InChIKeyBUQLZIAQWZAFSC-UHFFFAOYSA-N
XLogP4.28
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Thiophene-2-carboxylic acid {[(cyclopentylcarbamoyl-furan-2-yl-methyl)-pyridin-3-yl-carbamoyl]-methyl}-amide
CID 649544
4-Benzyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 651472
4-{2-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-oxo-ethyl}-4H-thieno[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 655865
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-ethyl ester
CID 656050
Thiophene-2-carboxylic acid ({[(1,1-dimethyl-propylcarbamoyl)-furan-2-yl-methyl]-pyridin-3-yl-carbamoyl}-methyl)-amide
CID 3215310
2,4-Dimethyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid [(furan-2-ylmethyl)-carbamoyl]-methyl ester
CID 3228588
N-Cyclopentyl-6-(furan-2-YL)-3-methyl-2-[3-(methylsulfanyl)phenyl]-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazine-3-carboxamide
CID 46274314
4-(2-Oxo-2-phenyl-ethyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 646759
4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid 1-[(furan-2-ylmethyl)-carbamoyl]-propyl ester
CID 647733
N-Cycloheptyl-2-[3-(3,5-dimethylpiperidin-1-YL)propyl]-6-(furan-2-YL)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazine-3-carboxamide
CID 46260861
6-Methyl-N-(4-methylcyclohexyl)-8-oxo-7-(2-thienylmethyl)-5,6,7,8-tetrahydrofuro[2',3':4,5]pyrrolo[1,2-A]pyrazine-6-carboxamide
CID 46272207
N-Cyclohexyl-2-[(4-fluorophenyl)methyl]-6-(furan-2-YL)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazine-3-carboxamide
CID 46274222

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-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-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274323) is N-cyclopentyl-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-cyclopentyl-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-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CC1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1cccs1.
What is the InChIKey of N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is BUQLZIAQWZAFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-23(22(28)24-16-6-2-3-7-16)15-25-18(20-9-4-12-29-20)10-11-19(25)21(27)26(23)14-17-8-5-13-30-17/h4-5,8-13,16H,2-3,6-7,14-15H2,1H3,(H,24,28).
What are the key properties of N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclopentyl-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 423.54 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-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 46274323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).