5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole

C21H17ClFN3 — CID 58485717

IUPAC5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole
SMILESCc1ccc(Cc2ccc(Cc3c[nH]c4ccc(Cl)cc34)c(F)n2)cn1
InChIInChI=1S/C21H17ClFN3/c1-13-2-3-14(11-24-13)8-18-6-4-15(21(23)26-18)9-16-12-25-20-7-5-17(22)10-19(16)20/h2-7,10-12,25H,8-9H2,1H3
InChIKeySPYJEJNSURQQNH-UHFFFAOYSA-N
MW365.84 g/mol
LogP5.24
Rot. Bonds4

About 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole

5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole (PubChem CID 58485717) has the molecular formula C21H17ClFN3 and a molecular weight of 365.84 g/mol. Its IUPAC name is 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole
PubChem CID58485717
Molecular FormulaC21H17ClFN3
Molecular Weight365.84 g/mol
Exact Mass365.11
IUPAC Name5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole
SMILESCc1ccc(Cc2ccc(Cc3c[nH]c4ccc(Cl)cc34)c(F)n2)cn1
InChIInChI=1S/C21H17ClFN3/c1-13-2-3-14(11-24-13)8-18-6-4-15(21(23)26-18)9-16-12-25-20-7-5-17(22)10-19(16)20/h2-7,10-12,25H,8-9H2,1H3
InChIKeySPYJEJNSURQQNH-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.84
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole with MolForge

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Related Compounds

Flortaucipir F-18
CID 70957463
Flortaucipir
CID 71059746
6-Fluoro-3-((1E)-2-(3-pyridinyl)ethenyl)-1H-indole
CID 10014426
5-Fluoro-1H-indole-3-ethylamine monohydrochloride
CID 197774
5-Chlorotryptamine
CID 77379
ST-1936
CID 9921064
3-(2-(4-Pyridyl)ethyl)indole
CID 27934
5-Chloroindole
CID 87110
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
CID 9862272
5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
3-(4-pyridyl)-1H-indole
CID 644354
Gevotroline
CID 60547

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole?
The IUPAC name of 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole (CID 58485717) is 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole?
The canonical SMILES for 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole is Cc1ccc(Cc2ccc(Cc3c[nH]c4ccc(Cl)cc34)c(F)n2)cn1.
What is the InChIKey of 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole?
The InChIKey is SPYJEJNSURQQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3/c1-13-2-3-14(11-24-13)8-18-6-4-15(21(23)26-18)9-16-12-25-20-7-5-17(22)10-19(16)20/h2-7,10-12,25H,8-9H2,1H3.
What are the key properties of 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole?
5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole has a molecular weight of 365.84 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[2-fluoro-6-[(6-methyl-3-pyridinyl)methyl]-3-pyridinyl]methyl]-1H-indole is sourced from PubChem (CID 58485717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).