(3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C28H42N4O3 — CID 92704963

IUPAC(3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCCCN(CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C28H42N4O3/c1-5-7-16-30(6-2)17-18-32-26(33)24-15-14-23(25-9-8-19-35-25)31(24)20-28(32,4)27(34)29-22-12-10-21(3)11-13-22/h8-9,14-15,19,21-22H,5-7,10-13,16-18,20H2,1-4H3,(H,29,34)/t21?,22?,28-/m0/s1
InChIKeyUJUYCDQYUGUYKD-HVKFLMNHSA-N
MW482.67 g/mol
LogP4.78
Rot. Bonds10

About (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide

(3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 92704963) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name(3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID92704963
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC Name(3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCCCN(CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1
InChIInChI=1S/C28H42N4O3/c1-5-7-16-30(6-2)17-18-32-26(33)24-15-14-23(25-9-8-19-35-25)31(24)20-28(32,4)27(34)29-22-12-10-21(3)11-13-22/h8-9,14-15,19,21-22H,5-7,10-13,16-18,20H2,1-4H3,(H,29,34)/t21?,22?,28-/m0/s1
InChIKeyUJUYCDQYUGUYKD-HVKFLMNHSA-N
XLogP4.78
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide with MolForge

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Related Compounds

2-[2-(diethylamino)ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274282
6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-propyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274265
(3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741130
(3R)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741127
(3S)-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741154
6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-2-(oxolan-2-ylmethyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274268
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
N-cycloheptyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-piperidin-1-ylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46274384
(3R)-2-butyl-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-6-(furan-2-yl)-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 124772386
N-cyclohexyl-6-(furan-2-yl)-2-[2-(furan-2-yl)ethyl]-3-methyl-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 46261229
(3S)-N-cyclopentyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 92741259
N-cyclooctyl-6-(furan-2-yl)-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22554264

Frequently Asked Questions

What is the IUPAC name of (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 92704963) is (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CCCCN(CC)CCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCC(C)CC1.
What is the InChIKey of (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is UJUYCDQYUGUYKD-HVKFLMNHSA-N. The full InChI is InChI=1S/C28H42N4O3/c1-5-7-16-30(6-2)17-18-32-26(33)24-15-14-23(25-9-8-19-35-25)31(24)20-28(32,4)27(34)29-22-12-10-21(3)11-13-22/h8-9,14-15,19,21-22H,5-7,10-13,16-18,20H2,1-4H3,(H,29,34)/t21?,22?,28-/m0/s1.
What are the key properties of (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
(3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 482.67 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-[2-[butyl(ethyl)amino]ethyl]-6-(furan-2-yl)-3-methyl-N-(4-methylcyclohexyl)-1-oxo-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 92704963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).