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

C26H22N4O4 — CID 11797983

IUPACmethyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(OC)c2c1C(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1
InChIInChI=1S/C26H22N4O4/c1-15-28-19-13-27-12-11-20(19)30(15)14-16-7-9-17(10-8-16)25(31)23-22-18(5-4-6-21(22)33-2)29-24(23)26(32)34-3/h4-13,29H,14H2,1-3H3
InChIKeyFELLELJGYHSTGT-UHFFFAOYSA-N
MW454.49 g/mol
LogP4.30
Rot. Bonds6

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

methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate (PubChem CID 11797983) has the molecular formula C26H22N4O4 and a molecular weight of 454.49 g/mol. Its IUPAC name is methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate
PubChem CID11797983
Molecular FormulaC26H22N4O4
Molecular Weight454.49 g/mol
Exact Mass454.16
IUPAC Namemethyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2cccc(OC)c2c1C(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1
InChIInChI=1S/C26H22N4O4/c1-15-28-19-13-27-12-11-20(19)30(15)14-16-7-9-17(10-8-16)25(31)23-22-18(5-4-6-21(22)33-2)29-24(23)26(32)34-3/h4-13,29H,14H2,1-3H3
InChIKeyFELLELJGYHSTGT-UHFFFAOYSA-N
XLogP4.30
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate?
The IUPAC name of methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate (CID 11797983) is methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate is COC(=O)c1[nH]c2cccc(OC)c2c1C(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1.
What is the InChIKey of methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate?
The InChIKey is FELLELJGYHSTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O4/c1-15-28-19-13-27-12-11-20(19)30(15)14-16-7-9-17(10-8-16)25(31)23-22-18(5-4-6-21(22)33-2)29-24(23)26(32)34-3/h4-13,29H,14H2,1-3H3.
What are the key properties of methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate?
methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate has a molecular weight of 454.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzoyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 11797983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).