2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide

C26H29N3O5 — CID 71219888

IUPAC2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc(OC)c2c1cc1c(=O)n(Cc3ccco3)c(C(=O)NC3CCC(C)CC3)cn12
InChIInChI=1S/C26H29N3O5/c1-16-6-8-17(9-7-16)27-25(30)21-15-28-20(26(31)29(21)14-18-5-4-12-34-18)13-19-22(32-2)10-11-23(33-3)24(19)28/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,27,30)
InChIKeyKSTNQOFBCUPNMX-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.22
Rot. Bonds6

About 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide

2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide (PubChem CID 71219888) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide
PubChem CID71219888
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC Name2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc(OC)c2c1cc1c(=O)n(Cc3ccco3)c(C(=O)NC3CCC(C)CC3)cn12
InChIInChI=1S/C26H29N3O5/c1-16-6-8-17(9-7-16)27-25(30)21-15-28-20(26(31)29(21)14-18-5-4-12-34-18)13-19-22(32-2)10-11-23(33-3)24(19)28/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,27,30)
InChIKeyKSTNQOFBCUPNMX-UHFFFAOYSA-N
XLogP4.22
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
CID 71220178
2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
CID 71219893
N-cyclopentyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273083
(3S)-N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92739591
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
N-cyclohexyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2452442
5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 56672418
3-acetyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-4H-pyrazino[1,2-a]indol-1-one
CID 143131082
2-(furan-2-ylmethylsulfanyl)-N-(4-methylcyclohexyl)acetamide
CID 112780850
N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 56679119
5-fluoro-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 31306165
N-(4-methylcycloheptyl)furan-2-carboxamide
CID 102795196

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide (CID 71219888) is 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide is COc1ccc(OC)c2c1cc1c(=O)n(Cc3ccco3)c(C(=O)NC3CCC(C)CC3)cn12.
What is the InChIKey of 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is KSTNQOFBCUPNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c1-16-6-8-17(9-7-16)27-25(30)21-15-28-20(26(31)29(21)14-18-5-4-12-34-18)13-19-22(32-2)10-11-23(33-3)24(19)28/h4-5,10-13,15-17H,6-9,14H2,1-3H3,(H,27,30).
What are the key properties of 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide?
2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 71219888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).