2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone

C22H20FN3O — CID 109236521

IUPAC2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCCc2ccc(F)cc2)c1)N1CCc2ccccc21
InChIInChI=1S/C22H20FN3O/c23-19-7-5-16(6-8-19)9-11-25-20-13-18(14-24-15-20)22(27)26-12-10-17-3-1-2-4-21(17)26/h1-8,13-15,25H,9-12H2
InChIKeyBTTZRXRRFALPIT-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.08
Rot. Bonds5

About 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone (PubChem CID 109236521) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
PubChem CID109236521
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
SMILESO=C(c1cncc(NCCc2ccc(F)cc2)c1)N1CCc2ccccc21
InChIInChI=1S/C22H20FN3O/c23-19-7-5-16(6-8-19)9-11-25-20-13-18(14-24-15-20)22(27)26-12-10-17-3-1-2-4-21(17)26/h1-8,13-15,25H,9-12H2
InChIKeyBTTZRXRRFALPIT-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

2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]methanone
CID 109192418
3,4-dihydro-2H-quinolin-1-yl-[5-(3-phenylpropylamino)-3-pyridinyl]methanone
CID 109239100
2,3-dihydroindol-1-yl-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227903
2,3-dihydroindol-1-yl-[5-(pentylamino)-3-pyridinyl]methanone
CID 109240141
2,3-dihydroindol-1-yl-[5-(pyridin-4-ylmethylamino)-3-pyridinyl]methanone
CID 109235678
N-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 20959960
[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225535
azepan-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109236515
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-3-pyridinyl]methanone
CID 109229964
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone (CID 109236521) is 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone is O=C(c1cncc(NCCc2ccc(F)cc2)c1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
The InChIKey is BTTZRXRRFALPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c23-19-7-5-16(6-8-19)9-11-25-20-13-18(14-24-15-20)22(27)26-12-10-17-3-1-2-4-21(17)26/h1-8,13-15,25H,9-12H2.
What are the key properties of 2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone?
2,3-dihydroindol-1-yl-[5-[2-(4-fluorophenyl)ethylamino]-3-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-[5-[2-(4-fluorophenyl)ethylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 109236521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).