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

C29H35N3O4 — CID 22554270

IUPACN-cyclooctyl-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)NC1CCCCCCC1
InChIInChI=1S/C29H35N3O4/c1-29(28(34)30-22-12-6-4-3-5-7-13-22)20-31-23(26-15-10-18-36-26)16-17-24(31)27(33)32(29)19-21-11-8-9-14-25(21)35-2/h8-11,14-18,22H,3-7,12-13,19-20H2,1-2H3,(H,30,34)
InChIKeyAYABXYASUZVRET-UHFFFAOYSA-N
MW489.62 g/mol
LogP5.40
Rot. Bonds6

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

N-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 22554270) has the molecular formula C29H35N3O4 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID22554270
Molecular FormulaC29H35N3O4
Molecular Weight489.62 g/mol
Exact Mass489.26
IUPAC NameN-cyclooctyl-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)NC1CCCCCCC1
InChIInChI=1S/C29H35N3O4/c1-29(28(34)30-22-12-6-4-3-5-7-13-22)20-31-23(26-15-10-18-36-26)16-17-24(31)27(33)32(29)19-21-11-8-9-14-25(21)35-2/h8-11,14-18,22H,3-7,12-13,19-20H2,1-2H3,(H,30,34)
InChIKeyAYABXYASUZVRET-UHFFFAOYSA-N
XLogP5.40
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.62
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
N-cyclopentyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274316
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
(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
(6R)-N-cycloheptyl-2-(furan-2-yl)-5-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738686

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-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-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 22554270) is N-cyclooctyl-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-cyclooctyl-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-cyclooctyl-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)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is AYABXYASUZVRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4/c1-29(28(34)30-22-12-6-4-3-5-7-13-22)20-31-23(26-15-10-18-36-26)16-17-24(31)27(33)32(29)19-21-11-8-9-14-25(21)35-2/h8-11,14-18,22H,3-7,12-13,19-20H2,1-2H3,(H,30,34).
What are the key properties of N-cyclooctyl-6-(furan-2-yl)-2-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-cyclooctyl-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 489.62 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-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 22554270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).