(3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C26H36N4O5 — CID 92741674

IUPAC(3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCOCCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H36N4O5/c1-5-35-14-8-13-30-24(32)23-22(27-17(2)31)20-15-19(34-4)11-12-21(20)29(23)16-26(30,3)25(33)28-18-9-6-7-10-18/h11-12,15,18H,5-10,13-14,16H2,1-4H3,(H,27,31)(H,28,33)/t26-/m1/s1
InChIKeyBYZVTTCXLINKAZ-AREMUKBSSA-N
MW484.60 g/mol
LogP3.31
Rot. Bonds9

About (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92741674) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92741674
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Name(3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCOCCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C26H36N4O5/c1-5-35-14-8-13-30-24(32)23-22(27-17(2)31)20-15-19(34-4)11-12-21(20)29(23)16-26(30,3)25(33)28-18-9-6-7-10-18/h11-12,15,18H,5-10,13-14,16H2,1-4H3,(H,27,31)(H,28,33)/t26-/m1/s1
InChIKeyBYZVTTCXLINKAZ-AREMUKBSSA-N
XLogP3.31
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741665
(3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741668
(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741898
(3R)-10-acetamido-N-cyclohexyl-8-fluoro-2-(2-methoxyethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741829
(3R)-N-cyclohexyl-2-(3-ethoxypropyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739549
(3S)-10-acetamido-N-cyclopentyl-8-fluoro-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741785
10-acetamido-N-cyclopentyl-8-fluoro-2-(4-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50757356
(3S)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-[(4-methylphenyl)methyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741767
(3R)-10-acetamido-2-[2-(cyclohexen-1-yl)ethyl]-N-cyclopentyl-8-fluoro-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92886553
(3R)-N-cyclopentyl-2-(3-ethoxypropyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]benzimidazole-3-carboxamide
CID 92886540
(3S)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-1-oxo-2-[[(2R)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741781
(3S)-10-acetamido-2-[(2R)-butan-2-yl]-N-cyclopentyl-8-fluoro-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741806

Frequently Asked Questions

What is the IUPAC name of (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92741674) is (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CCOCCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is BYZVTTCXLINKAZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-5-35-14-8-13-30-24(32)23-22(27-17(2)31)20-15-19(34-4)11-12-21(20)29(23)16-26(30,3)25(33)28-18-9-6-7-10-18/h11-12,15,18H,5-10,13-14,16H2,1-4H3,(H,27,31)(H,28,33)/t26-/m1/s1.
What are the key properties of (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92741674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).