2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide

C27H34N4O2 — CID 50757891

IUPAC2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C27H34N4O2/c1-4-5-16-31-25(32)24-23(29-14-8-9-15-29)21-17-19(2)12-13-22(21)30(24)18-27(31,3)26(33)28-20-10-6-7-11-20/h8-9,12-15,17,20H,4-7,10-11,16,18H2,1-3H3,(H,28,33)
InChIKeyXAUIDXVVOGPWLQ-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.81
Rot. Bonds6

About 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide

2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 50757891) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID50757891
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2CC1(C)C(=O)NC1CCCC1
InChIInChI=1S/C27H34N4O2/c1-4-5-16-31-25(32)24-23(29-14-8-9-15-29)21-17-19(2)12-13-22(21)30(24)18-27(31,3)26(33)28-20-10-6-7-11-20/h8-9,12-15,17,20H,4-7,10-11,16,18H2,1-3H3,(H,28,33)
InChIKeyXAUIDXVVOGPWLQ-UHFFFAOYSA-N
XLogP4.81
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92742106
N-cyclopentyl-3,8-dimethyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 20907127
2-benzyl-N-cycloheptyl-8-fluoro-3-methyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46260883
N-cycloheptyl-8-fluoro-3-methyl-2-[(2-methylphenyl)methyl]-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 20886302
(3S)-N-cyclohexyl-8-methoxy-3-methyl-1-oxo-2-propan-2-yl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92734790
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
2-butyl-N-cyclopentyl-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756930
(3S)-N-cycloheptyl-3-methyl-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92742115
(3S)-10-acetamido-N-cyclopentyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741898
2-butyl-N-cyclooctyl-3-methyl-1-oxo-6-phenyl-4H-pyrrolo[1,2-a]pyrazine-3-carboxamide
CID 20907926

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 50757891) is 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide is CCCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2CC1(C)C(=O)NC1CCCC1.
What is the InChIKey of 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is XAUIDXVVOGPWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-4-5-16-31-25(32)24-23(29-14-8-9-15-29)21-17-19(2)12-13-22(21)30(24)18-27(31,3)26(33)28-20-10-6-7-11-20/h8-9,12-15,17,20H,4-7,10-11,16,18H2,1-3H3,(H,28,33).
What are the key properties of 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 50757891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).