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

C24H32N4O4 — CID 92741665

IUPAC(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C24H32N4O4/c1-5-12-28-22(30)21-20(25-15(2)29)18-13-17(32-4)10-11-19(18)27(21)14-24(28,3)23(31)26-16-8-6-7-9-16/h10-11,13,16H,5-9,12,14H2,1-4H3,(H,25,29)(H,26,31)/t24-/m0/s1
InChIKeyCAWCMENLSZJNQJ-DEOSSOPVSA-N
MW440.54 g/mol
LogP3.29
Rot. Bonds6

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

(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92741665) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is (3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92741665
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@@]1(C)C(=O)NC1CCCC1
InChIInChI=1S/C24H32N4O4/c1-5-12-28-22(30)21-20(25-15(2)29)18-13-17(32-4)10-11-19(18)27(21)14-24(28,3)23(31)26-16-8-6-7-9-16/h10-11,13,16H,5-9,12,14H2,1-4H3,(H,25,29)(H,26,31)/t24-/m0/s1
InChIKeyCAWCMENLSZJNQJ-DEOSSOPVSA-N
XLogP3.29
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-2-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741668
(3R)-10-acetamido-N-cyclopentyl-2-(3-ethoxypropyl)-8-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741674
(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
(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
(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
10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46274552
(3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92742106

Frequently Asked Questions

What is the IUPAC name of (3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92741665) is (3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide is CCCN1C(=O)c2c(NC(C)=O)c3cc(OC)ccc3n2C[C@@]1(C)C(=O)NC1CCCC1.
What is the InChIKey of (3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is CAWCMENLSZJNQJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-5-12-28-22(30)21-20(25-15(2)29)18-13-17(32-4)10-11-19(18)27(21)14-24(28,3)23(31)26-16-8-6-7-9-16/h10-11,13,16H,5-9,12,14H2,1-4H3,(H,25,29)(H,26,31)/t24-/m0/s1.
What are the key properties of (3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 440.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92741665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).