(5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone

C22H17FN2O2 — CID 58086681

IUPAC(5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone
SMILESCOc1ccc(-c2cccc3[nH]cc(C(=O)c4cc(F)ccc4C)c23)cn1
InChIInChI=1S/C22H17FN2O2/c1-13-6-8-15(23)10-17(13)22(26)18-12-24-19-5-3-4-16(21(18)19)14-7-9-20(27-2)25-11-14/h3-12,24H,1-2H3
InChIKeyBVKNRSFEKBAOGH-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.92
Rot. Bonds4

About (5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone

(5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone (PubChem CID 58086681) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is (5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone
PubChem CID58086681
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Name(5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone
SMILESCOc1ccc(-c2cccc3[nH]cc(C(=O)c4cc(F)ccc4C)c23)cn1
InChIInChI=1S/C22H17FN2O2/c1-13-6-8-15(23)10-17(13)22(26)18-12-24-19-5-3-4-16(21(18)19)14-7-9-20(27-2)25-11-14/h3-12,24H,1-2H3
InChIKeyBVKNRSFEKBAOGH-UHFFFAOYSA-N
XLogP4.92
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone?
The IUPAC name of (5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone (CID 58086681) is (5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone?
The canonical SMILES for (5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone is COc1ccc(-c2cccc3[nH]cc(C(=O)c4cc(F)ccc4C)c23)cn1.
What is the InChIKey of (5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone?
The InChIKey is BVKNRSFEKBAOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-13-6-8-15(23)10-17(13)22(26)18-12-24-19-5-3-4-16(21(18)19)14-7-9-20(27-2)25-11-14/h3-12,24H,1-2H3.
What are the key properties of (5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone?
(5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone has a molecular weight of 360.39 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylphenyl)-[4-(6-methoxy-3-pyridinyl)-1H-indol-3-yl]methanone is sourced from PubChem (CID 58086681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).