(3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide

C27H34N4O2 — CID 92742106

IUPAC(3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@]1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C27H34N4O2/c1-4-14-31-25(32)24-23(29-15-8-9-16-29)21-17-19(2)12-13-22(21)30(24)18-27(31,3)26(33)28-20-10-6-5-7-11-20/h8-9,12-13,15-17,20H,4-7,10-11,14,18H2,1-3H3,(H,28,33)/t27-/m1/s1
InChIKeyCMHXDELGVFXISJ-HHHXNRCGSA-N
MW446.60 g/mol
LogP4.81
Rot. Bonds5

About (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92742106) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92742106
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name(3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@]1(C)C(=O)NC1CCCCC1
InChIInChI=1S/C27H34N4O2/c1-4-14-31-25(32)24-23(29-15-8-9-16-29)21-17-19(2)12-13-22(21)30(24)18-27(31,3)26(33)28-20-10-6-5-7-11-20/h8-9,12-13,15-17,20H,4-7,10-11,14,18H2,1-3H3,(H,28,33)/t27-/m1/s1
InChIKeyCMHXDELGVFXISJ-HHHXNRCGSA-N
XLogP4.81
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-butyl-N-cyclopentyl-3,8-dimethyl-1-oxo-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50757891
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
(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
(3S)-10-acetamido-N-cyclopentyl-8-methoxy-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92741665
N-cycloheptyl-3-methyl-1-oxo-2-propyl-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273111

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92742106) is (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide is CCCN1C(=O)c2c(-n3cccc3)c3cc(C)ccc3n2C[C@]1(C)C(=O)NC1CCCCC1.
What is the InChIKey of (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is CMHXDELGVFXISJ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-4-14-31-25(32)24-23(29-15-8-9-16-29)21-17-19(2)12-13-22(21)30(24)18-27(31,3)26(33)28-20-10-6-5-7-11-20/h8-9,12-13,15-17,20H,4-7,10-11,14,18H2,1-3H3,(H,28,33)/t27-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-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, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-3,8-dimethyl-1-oxo-2-propyl-10-pyrrol-1-yl-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92742106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).