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

C23H19FN2O2 — CID 69097132

IUPACmethyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccc(F)cc3)[nH]c3cc(C)ccc23)n1
InChIInChI=1S/C23H19FN2O2/c1-14-6-11-18-19(13-17-4-3-5-20(25-17)23(27)28-2)22(26-21(18)12-14)15-7-9-16(24)10-8-15/h3-12,26H,13H2,1-2H3
InChIKeyPRQVTDUWOBGMHR-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.05
Rot. Bonds4

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

methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate (PubChem CID 69097132) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
PubChem CID69097132
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Namemethyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(Cc2c(-c3ccc(F)cc3)[nH]c3cc(C)ccc23)n1
InChIInChI=1S/C23H19FN2O2/c1-14-6-11-18-19(13-17-4-3-5-20(25-17)23(27)28-2)22(26-21(18)12-14)15-7-9-16(24)10-8-15/h3-12,26H,13H2,1-2H3
InChIKeyPRQVTDUWOBGMHR-UHFFFAOYSA-N
XLogP5.05
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate (CID 69097132) is methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(Cc2c(-c3ccc(F)cc3)[nH]c3cc(C)ccc23)n1.
What is the InChIKey of methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate?
The InChIKey is PRQVTDUWOBGMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-14-6-11-18-19(13-17-4-3-5-20(25-17)23(27)28-2)22(26-21(18)12-14)15-7-9-16(24)10-8-15/h3-12,26H,13H2,1-2H3.
What are the key properties of methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(4-fluorophenyl)-6-methyl-1H-indol-3-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 69097132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).