ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate

C26H23N3O3S — CID 22714557

IUPACethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate
SMILESCCOC(=O)CC(c1c[nH]c2cc(OCc3ccccc3)ccc12)c1nccc2sncc12
InChIInChI=1S/C26H23N3O3S/c1-2-31-25(30)13-20(26-22-15-29-33-24(22)10-11-27-26)21-14-28-23-12-18(8-9-19(21)23)32-16-17-6-4-3-5-7-17/h3-12,14-15,20,28H,2,13,16H2,1H3
InChIKeyGTMUWIGZAKNJFK-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.84
Rot. Bonds8

About ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate

ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate (PubChem CID 22714557) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate
PubChem CID22714557
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Nameethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate
SMILESCCOC(=O)CC(c1c[nH]c2cc(OCc3ccccc3)ccc12)c1nccc2sncc12
InChIInChI=1S/C26H23N3O3S/c1-2-31-25(30)13-20(26-22-15-29-33-24(22)10-11-27-26)21-14-28-23-12-18(8-9-19(21)23)32-16-17-6-4-3-5-7-17/h3-12,14-15,20,28H,2,13,16H2,1H3
InChIKeyGTMUWIGZAKNJFK-UHFFFAOYSA-N
XLogP5.84
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate with MolForge

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Related Compounds

2-[[3-(3-ethoxy-3-oxo-1-phenylpropyl)-1H-indol-6-yl]oxy]acetic acid;2,2,2-trifluoroacetic acid
CID 22714548
ethyl 3-[2,4-bis(phenylmethoxy)phenyl]butanoate
CID 138513593
1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate
CID 174551857
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
diethyl 2-amino-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate
CID 11502438
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
ethyl (2S)-3-nitro-2-(5-phenylmethoxy-1H-indol-3-yl)propanoate
CID 155160271
2-(4-methylsulfonylpiperazin-1-yl)-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 42653902
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 29139650
(2S)-2-[(2R)-2-carbamoylpyrrolidin-1-yl]-2-(6-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 96565057
ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate?
The IUPAC name of ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate (CID 22714557) is ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate?
The canonical SMILES for ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate is CCOC(=O)CC(c1c[nH]c2cc(OCc3ccccc3)ccc12)c1nccc2sncc12.
What is the InChIKey of ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate?
The InChIKey is GTMUWIGZAKNJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-2-31-25(30)13-20(26-22-15-29-33-24(22)10-11-27-26)21-14-28-23-12-18(8-9-19(21)23)32-16-17-6-4-3-5-7-17/h3-12,14-15,20,28H,2,13,16H2,1H3.
What are the key properties of ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate?
ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate has a molecular weight of 457.56 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(6-phenylmethoxy-1H-indol-3-yl)-3-([1,2]thiazolo[4,5-c]pyridin-4-yl)propanoate is sourced from PubChem (CID 22714557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).