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

C26H29N3O4 — CID 46274316

IUPACN-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H29N3O4/c1-26(25(31)27-19-9-4-5-10-19)17-28-20(23-12-7-15-33-23)13-14-21(28)24(30)29(26)16-18-8-3-6-11-22(18)32-2/h3,6-8,11-15,19H,4-5,9-10,16-17H2,1-2H3,(H,27,31)
InChIKeyNELJBDGJMWKBRJ-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.23
Rot. Bonds6

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

N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 46274316) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID46274316
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCOc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H29N3O4/c1-26(25(31)27-19-9-4-5-10-19)17-28-20(23-12-7-15-33-23)13-14-21(28)24(30)29(26)16-18-8-3-6-11-22(18)32-2/h3,6-8,11-15,19H,4-5,9-10,16-17H2,1-2H3,(H,27,31)
InChIKeyNELJBDGJMWKBRJ-UHFFFAOYSA-N
XLogP4.23
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554270
(3S)-N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741333
N-cyclohexyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274220
N-cycloheptyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274362
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
(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-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
(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-cyclohexyl-6-(furan-2-yl)-2-(furan-2-ylmethyl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741019
2-[(2-ethoxyphenyl)methyl]-6-(furan-2-yl)-3-methyl-N-(2-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274422
(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 N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 46274316) is N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is COc1ccccc1CN1C(=O)c2ccc(-c3ccco3)n2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is NELJBDGJMWKBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-26(25(31)27-19-9-4-5-10-19)17-28-20(23-12-7-15-33-23)13-14-21(28)24(30)29(26)16-18-8-3-6-11-22(18)32-2/h3,6-8,11-15,19H,4-5,9-10,16-17H2,1-2H3,(H,27,31).
What are the key properties of N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 4.23, 6 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)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 46274316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).