ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate

C24H21FN2O3 — CID 69097171

IUPACethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(OC)c(F)cc23)n1
InChIInChI=1S/C24H21FN2O3/c1-3-30-24(28)20-11-7-10-16(26-20)12-18-17-13-19(25)22(29-2)14-21(17)27-23(18)15-8-5-4-6-9-15/h4-11,13-14,27H,3,12H2,1-2H3
InChIKeyUWCJFYOLRDTPEV-UHFFFAOYSA-N
MW404.44 g/mol
LogP5.15
Rot. Bonds6

About ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate

ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate (PubChem CID 69097171) has the molecular formula C24H21FN2O3 and a molecular weight of 404.44 g/mol. Its IUPAC name is ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
PubChem CID69097171
Molecular FormulaC24H21FN2O3
Molecular Weight404.44 g/mol
Exact Mass404.15
IUPAC Nameethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(OC)c(F)cc23)n1
InChIInChI=1S/C24H21FN2O3/c1-3-30-24(28)20-11-7-10-16(26-20)12-18-17-13-19(25)22(29-2)14-21(17)27-23(18)15-8-5-4-6-9-15/h4-11,13-14,27H,3,12H2,1-2H3
InChIKeyUWCJFYOLRDTPEV-UHFFFAOYSA-N
XLogP5.15
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.44
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate (CID 69097171) is ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate is CCOC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(OC)c(F)cc23)n1.
What is the InChIKey of ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
The InChIKey is UWCJFYOLRDTPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3/c1-3-30-24(28)20-11-7-10-16(26-20)12-18-17-13-19(25)22(29-2)14-21(17)27-23(18)15-8-5-4-6-9-15/h4-11,13-14,27H,3,12H2,1-2H3.
What are the key properties of ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate?
ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate has a molecular weight of 404.44 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(5-fluoro-6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 69097171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).