methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate

C28H24N4O5 — CID 18993191

IUPACmethyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate
SMILESCOC(=O)Cn1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2c(C(=O)OC)cccc21
InChIInChI=1S/C28H24N4O5/c1-17-30-22-13-29-12-11-23(22)32(17)14-18-7-9-19(10-8-18)27(34)21-15-31(16-25(33)36-2)24-6-4-5-20(26(21)24)28(35)37-3/h4-13,15H,14,16H2,1-3H3
InChIKeyNNJKVNDIZYDZJN-UHFFFAOYSA-N
MW496.52 g/mol
LogP3.93
Rot. Bonds7

About methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate

methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate (PubChem CID 18993191) has the molecular formula C28H24N4O5 and a molecular weight of 496.52 g/mol. Its IUPAC name is methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate
PubChem CID18993191
Molecular FormulaC28H24N4O5
Molecular Weight496.52 g/mol
Exact Mass496.17
IUPAC Namemethyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate
SMILESCOC(=O)Cn1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2c(C(=O)OC)cccc21
InChIInChI=1S/C28H24N4O5/c1-17-30-22-13-29-12-11-23(22)32(17)14-18-7-9-19(10-8-18)27(34)21-15-31(16-25(33)36-2)24-6-4-5-20(26(21)24)28(35)37-3/h4-13,15H,14,16H2,1-3H3
InChIKeyNNJKVNDIZYDZJN-UHFFFAOYSA-N
XLogP3.93
TPSA105.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.52
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate with MolForge

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Related Compounds

methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-2-propan-2-yl-1H-indole-4-carboxylate
CID 70110887
4-(dimethylcarbamoylamino)-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxamide
CID 18993137
4-acetyl-N,N-dimethyl-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxamide
CID 70112343
3-[3-fluoro-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-N,N-dimethyl-4-(2-trimethylsilylethynyl)indole-1-carboxamide
CID 70109523
phenyl 6-(4-fluorophenyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-1-carboxylate
CID 70110581
methyl 3-[4-[[2-ethyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoyl]-1-(pyrrolidine-1-carbonyl)indole-4-carboxylate
CID 70109880
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
methyl 1-[(4-methoxyphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 134360348
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
methyl 1-carbamoyl-3-[4-[(2-methyl-1H-imidazo[4,5-c]pyridin-4-yl)methyl]benzoyl]indole-4-carboxylate
CID 54187380
1-ethyl-2-methylimidazo[4,5-c]pyridine
CID 147300637
3-[6-[(E)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]-2-pyridinyl]propyl 4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoate
CID 70346175

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate?
The IUPAC name of methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate (CID 18993191) is methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate?
The canonical SMILES for methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate is COC(=O)Cn1cc(C(=O)c2ccc(Cn3c(C)nc4cnccc43)cc2)c2c(C(=O)OC)cccc21.
What is the InChIKey of methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate?
The InChIKey is NNJKVNDIZYDZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O5/c1-17-30-22-13-29-12-11-23(22)32(17)14-18-7-9-19(10-8-18)27(34)21-15-31(16-25(33)36-2)24-6-4-5-20(26(21)24)28(35)37-3/h4-13,15H,14,16H2,1-3H3.
What are the key properties of methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate?
methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate has a molecular weight of 496.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxy-2-oxoethyl)-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]indole-4-carboxylate is sourced from PubChem (CID 18993191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).