2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone

C22H20FN3O — CID 109172543

IUPAC2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(NCCc2ccccc2F)c1)N1CCc2ccccc21
InChIInChI=1S/C22H20FN3O/c23-19-7-3-1-5-16(19)9-12-24-21-15-18(10-13-25-21)22(27)26-14-11-17-6-2-4-8-20(17)26/h1-8,10,13,15H,9,11-12,14H2,(H,24,25)
InChIKeyVFKUMROQHFRVQU-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.08
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone (PubChem CID 109172543) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
PubChem CID109172543
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
SMILESO=C(c1ccnc(NCCc2ccccc2F)c1)N1CCc2ccccc21
InChIInChI=1S/C22H20FN3O/c23-19-7-3-1-5-16(19)9-12-24-21-15-18(10-13-25-21)22(27)26-14-11-17-6-2-4-8-20(17)26/h1-8,10,13,15H,9,11-12,14H2,(H,24,25)
InChIKeyVFKUMROQHFRVQU-UHFFFAOYSA-N
XLogP4.08
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone
CID 109172324
2,3-dihydroindol-1-yl-[2-[2-(4-methoxyphenyl)ethylamino]-4-pyridinyl]methanone
CID 109173038
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172463
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
1-(2,3-dihydroindol-1-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
CID 109000166
2-(2,3-dihydroindol-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985213
2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109176438
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109170004
4-(2,3-dihydroindole-1-carbonyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 109047185
2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109213671
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
2-[2-(2-fluorophenyl)ethylamino]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170555

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone (CID 109172543) is 2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone is O=C(c1ccnc(NCCc2ccccc2F)c1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone?
The InChIKey is VFKUMROQHFRVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-19-7-3-1-5-16(19)9-12-24-21-15-18(10-13-25-21)22(27)26-14-11-17-6-2-4-8-20(17)26/h1-8,10,13,15H,9,11-12,14H2,(H,24,25).
What are the key properties of 2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone has a molecular weight of 361.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[2-[2-(2-fluorophenyl)ethylamino]-4-pyridinyl]methanone is sourced from PubChem (CID 109172543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).