[6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

C24H20FN3O2S — CID 10048500

IUPAC[6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1c[nH]c2cc(OCc3ccc(F)cc3)ccc12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C24H20FN3O2S/c25-17-5-3-15(4-6-17)13-30-18-7-8-19-20(12-27-21(19)10-18)23(29)22-14-31-24(28-22)16-2-1-9-26-11-16/h1-12,22,24,27-28H,13-14H2/t22-,24?/m0/s1
InChIKeyDQNZOASLTKPJHJ-OWJIYDKWSA-N
MW433.51 g/mol
LogP4.87
Rot. Bonds6

About [6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone

[6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (PubChem CID 10048500) has the molecular formula C24H20FN3O2S and a molecular weight of 433.51 g/mol. Its IUPAC name is [6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.

Molecular Properties

Compound Name[6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
PubChem CID10048500
Molecular FormulaC24H20FN3O2S
Molecular Weight433.51 g/mol
Exact Mass433.13
IUPAC Name[6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
SMILESO=C(c1c[nH]c2cc(OCc3ccc(F)cc3)ccc12)[C@@H]1CSC(c2cccnc2)N1
InChIInChI=1S/C24H20FN3O2S/c25-17-5-3-15(4-6-17)13-30-18-7-8-19-20(12-27-21(19)10-18)23(29)22-14-31-24(28-22)16-2-1-9-26-11-16/h1-12,22,24,27-28H,13-14H2/t22-,24?/m0/s1
InChIKeyDQNZOASLTKPJHJ-OWJIYDKWSA-N
XLogP4.87
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

(7-methyl-1H-indol-3-yl)-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone
CID 11723716
bis[5-phenylmethoxy-1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)indol-3-yl] oxalate
CID 57040905
6-fluoro-N,N-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxamide
CID 10475985
6-[(4-fluorophenyl)methoxy]-N,N-dimethyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxamide
CID 67834345
2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 19894077
tert-butyl 6-methoxy-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate
CID 10478363
(2,5-dimethyl-1H-indol-3-yl)-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
CID 57113167
(2S)-2-[2-(4-fluorophenyl)ethylamino]-2-phenyl-1-(6-phenylmethoxy-1H-indol-3-yl)ethanone
CID 139422927
N-(3-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidine-4-carboxamide
CID 14881592
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
1H-indol-3-yl-(2-pyridin-3-yl-1,3-dithiolan-4-yl)methanone
CID 56977414
(6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone
CID 67809094

Frequently Asked Questions

What is the IUPAC name of [6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The IUPAC name of [6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone (CID 10048500) is [6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone.
What is the SMILES notation for [6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The canonical SMILES for [6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is O=C(c1c[nH]c2cc(OCc3ccc(F)cc3)ccc12)[C@@H]1CSC(c2cccnc2)N1.
What is the InChIKey of [6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
The InChIKey is DQNZOASLTKPJHJ-OWJIYDKWSA-N. The full InChI is InChI=1S/C24H20FN3O2S/c25-17-5-3-15(4-6-17)13-30-18-7-8-19-20(12-27-21(19)10-18)23(29)22-14-31-24(28-22)16-2-1-9-26-11-16/h1-12,22,24,27-28H,13-14H2/t22-,24?/m0/s1.
What are the key properties of [6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone?
[6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone has a molecular weight of 433.51 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-fluorophenyl)methoxy]-1H-indol-3-yl]-[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]methanone is sourced from PubChem (CID 10048500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).