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

C26H36N4O4 — CID 92741668

IUPAC(3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(NC(C)=O)c1n2C[C@](C)(C(=O)NC2CCCC2)N(CCC(C)C)C1=O
InChIInChI=1S/C26H36N4O4/c1-16(2)12-13-30-24(32)23-22(27-17(3)31)20-14-19(34-5)10-11-21(20)29(23)15-26(30,4)25(33)28-18-8-6-7-9-18/h10-11,14,16,18H,6-9,12-13,15H2,1-5H3,(H,27,31)(H,28,33)/t26-/m1/s1
InChIKeyDSMNDEZNPPPVIK-AREMUKBSSA-N
MW468.60 g/mol
LogP3.93
Rot. Bonds7

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

(3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92741668) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is (3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92741668
Molecular FormulaC26H36N4O4
Molecular Weight468.60 g/mol
Exact Mass468.27
IUPAC Name(3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2c(c1)c(NC(C)=O)c1n2C[C@](C)(C(=O)NC2CCCC2)N(CCC(C)C)C1=O
InChIInChI=1S/C26H36N4O4/c1-16(2)12-13-30-24(32)23-22(27-17(3)31)20-14-19(34-5)10-11-21(20)29(23)15-26(30,4)25(33)28-18-8-6-7-9-18/h10-11,14,16,18H,6-9,12-13,15H2,1-5H3,(H,27,31)(H,28,33)/t26-/m1/s1
InChIKeyDSMNDEZNPPPVIK-AREMUKBSSA-N
XLogP3.93
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741674
(3R)-10-acetamido-N-cyclohexyl-8-fluoro-2-(2-methoxyethyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741829
(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741898
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-2-[(4-fluorophenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741785
(3S)-10-acetamido-8-methoxy-3-methyl-N-(3-methylbutyl)-1-oxo-2-[[(2R)-oxolan-2-yl]methyl]-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741715
(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
(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
(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
(3S)-10-acetamido-3-methyl-N,2-bis(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741931
N-cyclooctyl-6,9-dimethoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523444

Frequently Asked Questions

What is the IUPAC name of (3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92741668) is (3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc2c(c1)c(NC(C)=O)c1n2C[C@](C)(C(=O)NC2CCCC2)N(CCC(C)C)C1=O.
What is the InChIKey of (3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is DSMNDEZNPPPVIK-AREMUKBSSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-16(2)12-13-30-24(32)23-22(27-17(3)31)20-14-19(34-5)10-11-21(20)29(23)15-26(30,4)25(33)28-18-8-6-7-9-18/h10-11,14,16,18H,6-9,12-13,15H2,1-5H3,(H,27,31)(H,28,33)/t26-/m1/s1.
What are the key properties of (3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92741668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).