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

C25H27N3O5 — CID 71220178

IUPACN-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc(OC)c2c1cc1c(=O)n(Cc3ccco3)c(C(=O)NC3CCCCC3)cn12
InChIInChI=1S/C25H27N3O5/c1-31-21-10-11-22(32-2)23-18(21)13-19-25(30)28(14-17-9-6-12-33-17)20(15-27(19)23)24(29)26-16-7-4-3-5-8-16/h6,9-13,15-16H,3-5,7-8,14H2,1-2H3,(H,26,29)
InChIKeyOSRRLYHSCHPMKE-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.98
Rot. Bonds6

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

N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide (PubChem CID 71220178) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
PubChem CID71220178
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
SMILESCOc1ccc(OC)c2c1cc1c(=O)n(Cc3ccco3)c(C(=O)NC3CCCCC3)cn12
InChIInChI=1S/C25H27N3O5/c1-31-21-10-11-22(32-2)23-18(21)13-19-25(30)28(14-17-9-6-12-33-17)20(15-27(19)23)24(29)26-16-7-4-3-5-8-16/h6,9-13,15-16H,3-5,7-8,14H2,1-2H3,(H,26,29)
InChIKeyOSRRLYHSCHPMKE-UHFFFAOYSA-N
XLogP3.98
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-(furan-2-ylmethyl)-6,9-dimethoxy-N-(4-methylcyclohexyl)-1-oxopyrazino[1,2-a]indole-3-carboxamide
CID 71219888
2-butyl-N-cyclopentyl-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide
CID 71219893
(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-cyclopentyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46273083
N-cyclohexyl-2-(furan-2-ylmethyl)-1,3-dioxoisoindole-5-carboxamide
CID 2452442
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
methyl 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate
CID 55322200
N-cyclohexyl-2-[[4-(furan-2-ylmethyl)-5-[(2-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1176929
N-cyclopentyl-4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793472
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
5-chloro-N-[(1R,5R)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
CID 56672418

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide?
The IUPAC name of N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide (CID 71220178) is N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide is COc1ccc(OC)c2c1cc1c(=O)n(Cc3ccco3)c(C(=O)NC3CCCCC3)cn12.
What is the InChIKey of N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide?
The InChIKey is OSRRLYHSCHPMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-31-21-10-11-22(32-2)23-18(21)13-19-25(30)28(14-17-9-6-12-33-17)20(15-27(19)23)24(29)26-16-7-4-3-5-8-16/h6,9-13,15-16H,3-5,7-8,14H2,1-2H3,(H,26,29).
What are the key properties of N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide?
N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(furan-2-ylmethyl)-6,9-dimethoxy-1-oxopyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 71220178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).