ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate

C25H24FN3O3 — CID 10207532

IUPACethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(OCCNCc3cncc(-c4cccc(F)c4)c3)c2[nH]1
InChIInChI=1S/C25H24FN3O3/c1-2-31-25(30)22-13-19-6-4-8-23(24(19)29-22)32-10-9-27-14-17-11-20(16-28-15-17)18-5-3-7-21(26)12-18/h3-8,11-13,15-16,27,29H,2,9-10,14H2,1H3
InChIKeyUOFXRRBFRITIEA-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.71
Rot. Bonds9

About ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate

ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate (PubChem CID 10207532) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate
PubChem CID10207532
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Nameethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(OCCNCc3cncc(-c4cccc(F)c4)c3)c2[nH]1
InChIInChI=1S/C25H24FN3O3/c1-2-31-25(30)22-13-19-6-4-8-23(24(19)29-22)32-10-9-27-14-17-11-20(16-28-15-17)18-5-3-7-21(26)12-18/h3-8,11-13,15-16,27,29H,2,9-10,14H2,1H3
InChIKeyUOFXRRBFRITIEA-UHFFFAOYSA-N
XLogP4.71
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate with MolForge

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Related Compounds

1-Pentyl-1H-indole-3-carboxylic acid 8-quinolinyl ester
CID 71604304
Abecarnil
CID 65914
Ethyl 4-(methoxymethyl)-6-(phenylmethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 121926
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
CID 115210
5-fluoro-PB-22
CID 72710774
ZK 91296
CID 123700
5-methoxy-3-[N-(4-(4-fluoro-phenyl)-4-oxo-butyl)-1,2,5,6-tetrahydro-pyridin-3-ylmethyl]-1H-indole
CID 9866050
3-(Cyclobutyl(3-(5-fluoro-1H-indol-3-yl)propyl)amino)-8-fluorochromane-5-carboxamide
CID 11293572
FUB-PB-22 compound
CID 91936864
Bis(1H-2-indolyl)methanone 45
CID 5330541
Bis(1H-2-indolyl)methanone deriv. 49
CID 5330545
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate (CID 10207532) is ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cccc(OCCNCc3cncc(-c4cccc(F)c4)c3)c2[nH]1.
What is the InChIKey of ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate?
The InChIKey is UOFXRRBFRITIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-2-31-25(30)22-13-19-6-4-8-23(24(19)29-22)32-10-9-27-14-17-11-20(16-28-15-17)18-5-3-7-21(26)12-18/h3-8,11-13,15-16,27,29H,2,9-10,14H2,1H3.
What are the key properties of ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate?
ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate has a molecular weight of 433.48 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[2-[[5-(3-fluorophenyl)-3-pyridinyl]methylamino]ethoxy]-1H-indole-2-carboxylate is sourced from PubChem (CID 10207532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).