[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate

C23H19FN2O2 — CID 56528275

IUPAC[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate
SMILESCc1cc2ccccc2n1CC(=O)OC(c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C23H19FN2O2/c1-16-13-17-7-2-3-11-21(17)26(16)15-22(27)28-23(20-10-4-5-12-25-20)18-8-6-9-19(24)14-18/h2-14,23H,15H2,1H3
InChIKeyLRSSOLPELXALHH-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.82
Rot. Bonds5

About [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate

[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate (PubChem CID 56528275) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate.

Molecular Properties

Compound Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate
PubChem CID56528275
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate
SMILESCc1cc2ccccc2n1CC(=O)OC(c1cccc(F)c1)c1ccccn1
InChIInChI=1S/C23H19FN2O2/c1-16-13-17-7-2-3-11-21(17)26(16)15-22(27)28-23(20-10-4-5-12-25-20)18-8-6-9-19(24)14-18/h2-14,23H,15H2,1H3
InChIKeyLRSSOLPELXALHH-UHFFFAOYSA-N
XLogP4.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate?
The IUPAC name of [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate (CID 56528275) is [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate.
What is the SMILES notation for [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate?
The canonical SMILES for [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate is Cc1cc2ccccc2n1CC(=O)OC(c1cccc(F)c1)c1ccccn1.
What is the InChIKey of [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate?
The InChIKey is LRSSOLPELXALHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-16-13-17-7-2-3-11-21(17)26(16)15-22(27)28-23(20-10-4-5-12-25-20)18-8-6-9-19(24)14-18/h2-14,23H,15H2,1H3.
What are the key properties of [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate?
[(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate has a molecular weight of 374.42 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-pyridin-2-ylmethyl] 2-(2-methylindol-1-yl)acetate is sourced from PubChem (CID 56528275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).