3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one

C21H18FN3O — CID 118606729

IUPAC3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one
SMILESO=C1CC2(CC2)Cc2[nH]c(-c3ccnc(F)c3)c(Nc3ccccc3)c21
InChIInChI=1S/C21H18FN3O/c22-17-10-13(6-9-23-17)19-20(24-14-4-2-1-3-5-14)18-15(25-19)11-21(7-8-21)12-16(18)26/h1-6,9-10,24-25H,7-8,11-12H2
InChIKeyOEUQDGHIMWZUDA-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.87
Rot. Bonds3

About 3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one

3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one (PubChem CID 118606729) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one
PubChem CID118606729
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one
SMILESO=C1CC2(CC2)Cc2[nH]c(-c3ccnc(F)c3)c(Nc3ccccc3)c21
InChIInChI=1S/C21H18FN3O/c22-17-10-13(6-9-23-17)19-20(24-14-4-2-1-3-5-14)18-15(25-19)11-21(7-8-21)12-16(18)26/h1-6,9-10,24-25H,7-8,11-12H2
InChIKeyOEUQDGHIMWZUDA-UHFFFAOYSA-N
XLogP4.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-(2-Fluorophenyl)pyridin-4-YL)-1,5,6,7-tetrahydro-4H-pyrrolo(3,2-C)pyridin-4-one
CID 11992146
Pyrrolopyridine, 24
CID 16720095
Pyrrolopyridine, 25
CID 16720200
2-Amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 5306648
1-(4-benzoylpiperazin-1-yl)-2-(4,6-difluoro-1H-indol-3-yl)ethane-1,2-dione
CID 506237
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7087091
6,6-Dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one
CID 752155
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 1950341
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 3595115
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 506214
1-(4-benzoylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 506223
N-(pyridin-4-yl)-[1-(4-fluorobenzyl)indol-3-yl]glyoxylamide
CID 9820865

Frequently Asked Questions

What is the IUPAC name of 3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one?
The IUPAC name of 3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one (CID 118606729) is 3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one.
What is the SMILES notation for 3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one?
The canonical SMILES for 3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one is O=C1CC2(CC2)Cc2[nH]c(-c3ccnc(F)c3)c(Nc3ccccc3)c21.
What is the InChIKey of 3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one?
The InChIKey is OEUQDGHIMWZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-17-10-13(6-9-23-17)19-20(24-14-4-2-1-3-5-14)18-15(25-19)11-21(7-8-21)12-16(18)26/h1-6,9-10,24-25H,7-8,11-12H2.
What are the key properties of 3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one?
3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one has a molecular weight of 347.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-2-(2-fluoro-4-pyridinyl)spiro[5,7-dihydro-1H-indole-6,1'-cyclopropane]-4-one is sourced from PubChem (CID 118606729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).