(3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C26H27N3O5 — CID 92741216

IUPAC(3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@]1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H27N3O5/c1-26(25(31)27-18-5-2-3-6-18)15-28-19(21-7-4-12-32-21)9-10-20(28)24(30)29(26)14-17-8-11-22-23(13-17)34-16-33-22/h4,7-13,18H,2-3,5-6,14-16H2,1H3,(H,27,31)/t26-/m1/s1
InChIKeyMKUZXKUWNUXTMG-AREMUKBSSA-N
MW461.52 g/mol
LogP3.95
Rot. Bonds5

About (3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

(3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92741216) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is (3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92741216
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name(3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESC[C@]1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2
InChIInChI=1S/C26H27N3O5/c1-26(25(31)27-18-5-2-3-6-18)15-28-19(21-7-4-12-32-21)9-10-20(28)24(30)29(26)14-17-8-11-22-23(13-17)34-16-33-22/h4,7-13,18H,2-3,5-6,14-16H2,1H3,(H,27,31)/t26-/m1/s1
InChIKeyMKUZXKUWNUXTMG-AREMUKBSSA-N
XLogP3.95
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(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
N-cyclohexyl-2-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274238
(3R)-2-[(4-chlorophenyl)methyl]-N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704978
(3S)-N-cyclohexyl-6-(furan-2-yl)-2-[(3-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741038
(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92734796
(3R)-N-cycloheptyl-6-(furan-2-yl)-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741360
(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
(3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-[(4-chlorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741588
(3R)-N-cyclooctyl-2-[(2-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704985
(3R)-2-[(2-chlorophenyl)methyl]-N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92704976
N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(pyridin-3-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274286
N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274316

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92741216) is (3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is C[C@]1(C(=O)NC2CCCC2)Cn2c(ccc2-c2ccco2)C(=O)N1Cc1ccc2c(c1)OCO2.
What is the InChIKey of (3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is MKUZXKUWNUXTMG-AREMUKBSSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-26(25(31)27-18-5-2-3-6-18)15-28-19(21-7-4-12-32-21)9-10-20(28)24(30)29(26)14-17-8-11-22-23(13-17)34-16-33-22/h4,7-13,18H,2-3,5-6,14-16H2,1H3,(H,27,31)/t26-/m1/s1.
What are the key properties of (3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92741216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).