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

C25H20N4O3 — CID 10550254

IUPACmethyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12
InChIInChI=1S/C25H20N4O3/c1-15-28-21-13-26-11-10-22(21)29(15)14-16-6-8-17(9-7-16)24(30)19-12-27-20-5-3-4-18(23(19)20)25(31)32-2/h3-13,27H,14H2,1-2H3
InChIKeyARVFGNKAVFTGCL-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.29
Rot. Bonds5

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

methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate (PubChem CID 10550254) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate
PubChem CID10550254
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Namemethyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate
SMILESCOC(=O)c1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12
InChIInChI=1S/C25H20N4O3/c1-15-28-21-13-26-11-10-22(21)29(15)14-16-6-8-17(9-7-16)24(30)19-12-27-20-5-3-4-18(23(19)20)25(31)32-2/h3-13,27H,14H2,1-2H3
InChIKeyARVFGNKAVFTGCL-UHFFFAOYSA-N
XLogP4.29
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate?
The IUPAC name of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate (CID 10550254) is methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate?
The canonical SMILES for methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate is COC(=O)c1cccc2[nH]cc(C(=O)c3ccc(Cn4c(C)nc5cnccc54)cc3)c12.
What is the InChIKey of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate?
The InChIKey is ARVFGNKAVFTGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-15-28-21-13-26-11-10-22(21)29(15)14-16-6-8-17(9-7-16)24(30)19-12-27-20-5-3-4-18(23(19)20)25(31)32-2/h3-13,27H,14H2,1-2H3.
What are the key properties of methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate?
methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate has a molecular weight of 424.46 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-4-carboxylate is sourced from PubChem (CID 10550254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).