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

C25H32N4O3 — CID 92741915

IUPAC(3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC(=O)Nc1c2n(c3ccccc13)C[C@@](C)(C(=O)NC1CCCC1)N(C1CCCC1)C2=O
InChIInChI=1S/C25H32N4O3/c1-16(30)26-21-19-13-7-8-14-20(19)28-15-25(2,24(32)27-17-9-3-4-10-17)29(23(31)22(21)28)18-11-5-6-12-18/h7-8,13-14,17-18H,3-6,9-12,15H2,1-2H3,(H,26,30)(H,27,32)/t25-/m0/s1
InChIKeyUNRUORNAHLNSBY-VWLOTQADSA-N
MW436.56 g/mol
LogP3.82
Rot. Bonds4

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

(3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92741915) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is (3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92741915
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name(3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCC(=O)Nc1c2n(c3ccccc13)C[C@@](C)(C(=O)NC1CCCC1)N(C1CCCC1)C2=O
InChIInChI=1S/C25H32N4O3/c1-16(30)26-21-19-13-7-8-14-20(19)28-15-25(2,24(32)27-17-9-3-4-10-17)29(23(31)22(21)28)18-11-5-6-12-18/h7-8,13-14,17-18H,3-6,9-12,15H2,1-2H3,(H,26,30)(H,27,32)/t25-/m0/s1
InChIKeyUNRUORNAHLNSBY-VWLOTQADSA-N
XLogP3.82
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

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Related Compounds

10-acetamido-N,2-di(cycloheptyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46274547
(3R)-10-acetamido-N-cyclohexyl-3-methyl-2-(4-methylcyclohexyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741883
(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-3-methyl-1-oxo-2-(thiophen-2-ylmethyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46274552
N-cycloheptyl-2-cyclopentyl-8-fluoro-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46260879
(3R)-N,2-di(cycloheptyl)-8-fluoro-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92716273
(3S)-N,2-di(cycloheptyl)-8-fluoro-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92716272
(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
(3R)-10-acetamido-N-cyclopentyl-8-fluoro-3-methyl-2-(4-methylphenyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741796
(3R)-N-cyclopentyl-2-cyclopropyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92903630
(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741665
(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

Frequently Asked Questions

What is the IUPAC name of (3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92741915) is (3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is CC(=O)Nc1c2n(c3ccccc13)C[C@@](C)(C(=O)NC1CCCC1)N(C1CCCC1)C2=O.
What is the InChIKey of (3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is UNRUORNAHLNSBY-VWLOTQADSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-16(30)26-21-19-13-7-8-14-20(19)28-15-25(2,24(32)27-17-9-3-4-10-17)29(23(31)22(21)28)18-11-5-6-12-18/h7-8,13-14,17-18H,3-6,9-12,15H2,1-2H3,(H,26,30)(H,27,32)/t25-/m0/s1.
What are the key properties of (3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-10-acetamido-N,2-dicyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92741915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).