dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C29H26N2O6 — CID 10391204

IUPACdimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(=O)c2c(o1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C29H26N2O6/c1-16-23(28(33)35-3)25(24(17(2)30-16)29(34)36-4)22-14-21(32)26-27(37-22)19-12-8-9-13-20(19)31(26)15-18-10-6-5-7-11-18/h5-14,25,30H,15H2,1-4H3
InChIKeyUMZOCFMWDVTYDF-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.38
Rot. Bonds5

About dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 10391204) has the molecular formula C29H26N2O6 and a molecular weight of 498.54 g/mol. Its IUPAC name is dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID10391204
Molecular FormulaC29H26N2O6
Molecular Weight498.54 g/mol
Exact Mass498.18
IUPAC Namedimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(=O)c2c(o1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C29H26N2O6/c1-16-23(28(33)35-3)25(24(17(2)30-16)29(34)36-4)22-14-21(32)26-27(37-22)19-12-8-9-13-20(19)31(26)15-18-10-6-5-7-11-18/h5-14,25,30H,15H2,1-4H3
InChIKeyUMZOCFMWDVTYDF-UHFFFAOYSA-N
XLogP4.38
TPSA99.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate 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

ethyl 5-benzyl-4-oxopyrano[3,2-b]indole-2-carboxylate
CID 10020576
dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 10368558
ethyl 4-(1-benzyl-2-chloroindol-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 155927673
dimethyl 4-(1-benzyl-5-methylpyrazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 10318527
dimethyl 11-benzylindolizino[8,7-b]indole-2,5-dicarboxylate
CID 46894226
diethyl 2-(5-benzyl-4-oxopyrano[3,2-b]indol-3-yl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 10369532
methyl 1-benzyl-4-hydroxyindole-2-carboxylate
CID 18522126
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
3-O-methyl 5-O-prop-2-ynyl 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 3066649
3-O-methyl 5-O-[2-(methylamino)ethyl] 2,6-dimethyl-4-(3-methyl-4-oxo-2-phenylchromen-8-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 21274385
5-O-ethyl 3-O-methyl (4R)-2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 679656
methyl 7-benzyl-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate
CID 12818455

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 10391204) is dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc(=O)c2c(o1)c1ccccc1n2Cc1ccccc1.
What is the InChIKey of dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is UMZOCFMWDVTYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O6/c1-16-23(28(33)35-3)25(24(17(2)30-16)29(34)36-4)22-14-21(32)26-27(37-22)19-12-8-9-13-20(19)31(26)15-18-10-6-5-7-11-18/h5-14,25,30H,15H2,1-4H3.
What are the key properties of dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 498.54 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(5-benzyl-4-oxopyrano[3,2-b]indol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 10391204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).