(3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

C26H37N3O4 — CID 92704158

IUPAC(3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCCOC(C)C)C3=O
InChIInChI=1S/C26H37N3O4/c1-18(2)33-14-8-13-29-24(30)23-15-19-11-12-21(32-4)16-22(19)28(23)17-26(29,3)25(31)27-20-9-6-5-7-10-20/h11-12,15-16,18,20H,5-10,13-14,17H2,1-4H3,(H,27,31)/t26-/m1/s1
InChIKeyYOIVRYUQFRPTJB-AREMUKBSSA-N
MW455.60 g/mol
LogP4.13
Rot. Bonds8

About (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92704158) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
PubChem CID92704158
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC Name(3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCCOC(C)C)C3=O
InChIInChI=1S/C26H37N3O4/c1-18(2)33-14-8-13-29-24(30)23-15-19-11-12-21(32-4)16-22(19)28(23)17-26(29,3)25(31)27-20-9-6-5-7-10-20/h11-12,15-16,18,20H,5-10,13-14,17H2,1-4H3,(H,27,31)/t26-/m1/s1
InChIKeyYOIVRYUQFRPTJB-AREMUKBSSA-N
XLogP4.13
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-cyclohexyl-2-(3-ethoxypropyl)-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739549
(3S)-2-butyl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739552
2-[3-[bis(2-methylpropyl)amino]propyl]-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 143131046
(3S)-N-cyclohexyl-2-[2-(dimethylamino)ethyl]-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739571
N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-phenylpropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273001
N-cyclohexyl-7-methoxy-3-methyl-2-[3-(4-methylpiperazin-1-yl)propyl]-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523228
(3R)-N-cycloheptyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704268
N-cyclopentyl-7-methoxy-2-[(4-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 50756953
(3S)-N-cyclohexyl-7-methoxy-2-(4-methoxyphenyl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739510
2-butan-2-yl-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 22523223
N-cyclooctyl-4,11-dimethyl-9-oxo-10-(3-propan-2-yloxypropyl)-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 22521891
(3R)-2-benzyl-N-cycloheptyl-7-methoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92704259

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92704158) is (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCC1)N(CCCOC(C)C)C3=O.
What is the InChIKey of (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is YOIVRYUQFRPTJB-AREMUKBSSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-18(2)33-14-8-13-29-24(30)23-15-19-11-12-21(32-4)16-22(19)28(23)17-26(29,3)25(31)27-20-9-6-5-7-10-20/h11-12,15-16,18,20H,5-10,13-14,17H2,1-4H3,(H,27,31)/t26-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide?
(3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 455.60 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-7-methoxy-3-methyl-1-oxo-2-(3-propan-2-yloxypropyl)-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92704158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).