3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole

C32H33F2N5O2 — CID 10175068

IUPAC3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole
SMILESCOc1cc(F)ccc1OCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cnnn4C)cc23)CC1
InChIInChI=1S/C32H33F2N5O2/c1-37-30(20-35-36-37)23-4-10-29-27(18-23)28(21-39(29)26-8-5-24(33)6-9-26)22-12-15-38(16-13-22)14-3-17-41-31-11-7-25(34)19-32(31)40-2/h4-11,18-22H,3,12-17H2,1-2H3
InChIKeyQUYGVVBKXGUMHL-UHFFFAOYSA-N
MW557.65 g/mol
LogP6.36
Rot. Bonds9

About 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole

3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole (PubChem CID 10175068) has the molecular formula C32H33F2N5O2 and a molecular weight of 557.65 g/mol. Its IUPAC name is 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole.

Molecular Properties

Compound Name3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole
PubChem CID10175068
Molecular FormulaC32H33F2N5O2
Molecular Weight557.65 g/mol
Exact Mass557.26
IUPAC Name3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole
SMILESCOc1cc(F)ccc1OCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cnnn4C)cc23)CC1
InChIInChI=1S/C32H33F2N5O2/c1-37-30(20-35-36-37)23-4-10-29-27(18-23)28(21-39(29)26-8-5-24(33)6-9-26)22-12-15-38(16-13-22)14-3-17-41-31-11-7-25(34)19-32(31)40-2/h4-11,18-22H,3,12-17H2,1-2H3
InChIKeyQUYGVVBKXGUMHL-UHFFFAOYSA-N
XLogP6.36
TPSA57.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.65
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-[1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 11827039
3-[4-[1-(4-fluorophenyl)-5-(1-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]propan-1-ol
CID 10194843
2-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-1,2,4-triazol-3-yl)indol-3-yl]piperidin-1-yl]ethoxy]ethanol
CID 10173941
1-[2-[4-[1-(4-fluorophenyl)-5-(1-(111C)methyltriazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 70682616
3-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-5-(1-methylimidazol-2-yl)indole
CID 57303088
1-[2-[4-[1-(4-fluorophenyl)-5-(1-methyltetrazol-5-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
CID 11038263
6-fluoro-3-[1-[3-(2-methoxy-4-propylphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 23373628
1-[2-[4-[5-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethyl]-3-(decoxymethyl)imidazolidin-2-one
CID 19927629
5-fluoro-3-[1-[3-(2-methoxyphenoxy)propyl]piperidin-4-yl]-1,2-benzoxazole
CID 140972227
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]-N-methylethanamine
CID 14947118
2-[4-[6-chloro-1-(4-fluorophenyl)indol-3-yl]piperidin-1-yl]ethanol;hydrochloride
CID 139829310
1-[4-[3-[4-(5-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 10320252

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole?
The IUPAC name of 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole (CID 10175068) is 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole.
What is the SMILES notation for 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole?
The canonical SMILES for 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole is COc1cc(F)ccc1OCCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4cnnn4C)cc23)CC1.
What is the InChIKey of 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole?
The InChIKey is QUYGVVBKXGUMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F2N5O2/c1-37-30(20-35-36-37)23-4-10-29-27(18-23)28(21-39(29)26-8-5-24(33)6-9-26)22-12-15-38(16-13-22)14-3-17-41-31-11-7-25(34)19-32(31)40-2/h4-11,18-22H,3,12-17H2,1-2H3.
What are the key properties of 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole?
3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole has a molecular weight of 557.65 g/mol, XLogP of 6.36, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-fluoro-2-methoxyphenoxy)propyl]piperidin-4-yl]-1-(4-fluorophenyl)-5-(3-methyltriazol-4-yl)indole is sourced from PubChem (CID 10175068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).