benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate

C36H30N2O5 — CID 71284878

IUPACbenzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate
SMILESCn1ccc2cc(-c3nc(OCc4ccccc4)c(C(=O)OCc4ccccc4)c(OCc4ccccc4)c3O)ccc21
InChIInChI=1S/C36H30N2O5/c1-38-20-19-28-21-29(17-18-30(28)38)32-33(39)34(41-22-25-11-5-2-6-12-25)31(36(40)43-24-27-15-9-4-10-16-27)35(37-32)42-23-26-13-7-3-8-14-26/h2-21,39H,22-24H2,1H3
InChIKeyGPTHWKQXSJTDCD-UHFFFAOYSA-N
MW570.65 g/mol
LogP7.46
Rot. Bonds10

About benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate

benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate (PubChem CID 71284878) has the molecular formula C36H30N2O5 and a molecular weight of 570.65 g/mol. Its IUPAC name is benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate
PubChem CID71284878
Molecular FormulaC36H30N2O5
Molecular Weight570.65 g/mol
Exact Mass570.22
IUPAC Namebenzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate
SMILESCn1ccc2cc(-c3nc(OCc4ccccc4)c(C(=O)OCc4ccccc4)c(OCc4ccccc4)c3O)ccc21
InChIInChI=1S/C36H30N2O5/c1-38-20-19-28-21-29(17-18-30(28)38)32-33(39)34(41-22-25-11-5-2-6-12-25)31(36(40)43-24-27-15-9-4-10-16-27)35(37-32)42-23-26-13-7-3-8-14-26/h2-21,39H,22-24H2,1H3
InChIKeyGPTHWKQXSJTDCD-UHFFFAOYSA-N
XLogP7.46
TPSA82.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate?
The IUPAC name of benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate (CID 71284878) is benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate.
What is the SMILES notation for benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate?
The canonical SMILES for benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate is Cn1ccc2cc(-c3nc(OCc4ccccc4)c(C(=O)OCc4ccccc4)c(OCc4ccccc4)c3O)ccc21.
What is the InChIKey of benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate?
The InChIKey is GPTHWKQXSJTDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O5/c1-38-20-19-28-21-29(17-18-30(28)38)32-33(39)34(41-22-25-11-5-2-6-12-25)31(36(40)43-24-27-15-9-4-10-16-27)35(37-32)42-23-26-13-7-3-8-14-26/h2-21,39H,22-24H2,1H3.
What are the key properties of benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate?
benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate has a molecular weight of 570.65 g/mol, XLogP of 7.46, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 5-hydroxy-6-(1-methylindol-5-yl)-2,4-bis(phenylmethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 71284878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).