methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate

C24H21FN2O4 — CID 69097000

IUPACmethyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate
SMILESCCOc1ccc2c(C(O)c3cccc(C(=O)OC)n3)c(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C24H21FN2O4/c1-3-31-16-11-12-17-20(13-16)27-22(14-7-9-15(25)10-8-14)21(17)23(28)18-5-4-6-19(26-18)24(29)30-2/h4-13,23,27-28H,3H2,1-2H3
InChIKeyXTODPQTZANUUSQ-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.64
Rot. Bonds6

About methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate

methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate (PubChem CID 69097000) has the molecular formula C24H21FN2O4 and a molecular weight of 420.44 g/mol. Its IUPAC name is methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate
PubChem CID69097000
Molecular FormulaC24H21FN2O4
Molecular Weight420.44 g/mol
Exact Mass420.15
IUPAC Namemethyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate
SMILESCCOc1ccc2c(C(O)c3cccc(C(=O)OC)n3)c(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C24H21FN2O4/c1-3-31-16-11-12-17-20(13-16)27-22(14-7-9-15(25)10-8-14)21(17)23(28)18-5-4-6-19(26-18)24(29)30-2/h4-13,23,27-28H,3H2,1-2H3
InChIKeyXTODPQTZANUUSQ-UHFFFAOYSA-N
XLogP4.64
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate (CID 69097000) is methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate is CCOc1ccc2c(C(O)c3cccc(C(=O)OC)n3)c(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate?
The InChIKey is XTODPQTZANUUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O4/c1-3-31-16-11-12-17-20(13-16)27-22(14-7-9-15(25)10-8-14)21(17)23(28)18-5-4-6-19(26-18)24(29)30-2/h4-13,23,27-28H,3H2,1-2H3.
What are the key properties of methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate?
methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate has a molecular weight of 420.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-ethoxy-2-(4-fluorophenyl)-1H-indol-3-yl]-hydroxymethyl]pyridine-2-carboxylate is sourced from PubChem (CID 69097000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).