2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid

C27H19F3N4O4 — CID 68553906

IUPAC2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
SMILESO=C(O)CC1CCc2c1[nH]c1ccc(-c3noc(-c4cc(OC(F)(F)F)cc(-c5ccccn5)c4)n3)cc21
InChIInChI=1S/C27H19F3N4O4/c28-27(29,30)37-18-10-16(21-3-1-2-8-31-21)9-17(11-18)26-33-25(34-38-26)15-5-7-22-20(12-15)19-6-4-14(13-23(35)36)24(19)32-22/h1-3,5,7-12,14,32H,4,6,13H2,(H,35,36)
InChIKeyZFAPQSYMBBSSCO-UHFFFAOYSA-N
MW520.47 g/mol
LogP6.35
Rot. Bonds6

About 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid

2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid (PubChem CID 68553906) has the molecular formula C27H19F3N4O4 and a molecular weight of 520.47 g/mol. Its IUPAC name is 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
PubChem CID68553906
Molecular FormulaC27H19F3N4O4
Molecular Weight520.47 g/mol
Exact Mass520.14
IUPAC Name2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
SMILESO=C(O)CC1CCc2c1[nH]c1ccc(-c3noc(-c4cc(OC(F)(F)F)cc(-c5ccccn5)c4)n3)cc21
InChIInChI=1S/C27H19F3N4O4/c28-27(29,30)37-18-10-16(21-3-1-2-8-31-21)9-17(11-18)26-33-25(34-38-26)15-5-7-22-20(12-15)19-6-4-14(13-23(35)36)24(19)32-22/h1-3,5,7-12,14,32H,4,6,13H2,(H,35,36)
InChIKeyZFAPQSYMBBSSCO-UHFFFAOYSA-N
XLogP6.35
TPSA114.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.47
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid 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

2-[7-[5-[3-amino-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 89174896
[2-[7-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetyl] 2-[7-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetate
CID 90891944
2-[7-[5-[6-(propylamino)-4-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 59549222
2-[7-[5-[3-(2-methyl-4-pyridinyl)-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4,6,7-hexahydrocyclopenta[b]indol-3-yl]acetic acid
CID 70997852
2-[(3R)-6-[5-[3-(2H-tetrazol-5-yl)-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
CID 68770577
2-[(3S)-6-[5-[3-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
CID 68770360
2-[7-[5-[3-pyridin-3-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,3a-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 68757960
2-[(3R)-7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 170699545
2-[(3S)-6-[5-[3-cyano-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
CID 68772399
2-[7-[4-[3-cyano-5-(trifluoromethoxy)phenyl]-1,3-diazet-2-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]-N-oxoacetamide
CID 162556853
2-(7,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-5-yl)acetic acid
CID 69473778
2-[(3S)-7-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid
CID 44624067

Frequently Asked Questions

What is the IUPAC name of 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid?
The IUPAC name of 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid (CID 68553906) is 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid.
What is the SMILES notation for 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid?
The canonical SMILES for 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid is O=C(O)CC1CCc2c1[nH]c1ccc(-c3noc(-c4cc(OC(F)(F)F)cc(-c5ccccn5)c4)n3)cc21.
What is the InChIKey of 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid?
The InChIKey is ZFAPQSYMBBSSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N4O4/c28-27(29,30)37-18-10-16(21-3-1-2-8-31-21)9-17(11-18)26-33-25(34-38-26)15-5-7-22-20(12-15)19-6-4-14(13-23(35)36)24(19)32-22/h1-3,5,7-12,14,32H,4,6,13H2,(H,35,36).
What are the key properties of 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid?
2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid has a molecular weight of 520.47 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[5-[3-pyridin-2-yl-5-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]acetic acid is sourced from PubChem (CID 68553906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).