UUYIOXGBRXVJGI-UHFFFAOYSA-N

Name: UUYIOXGBRXVJGI-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₈H₃₀F₃N₅O₅S — CID 135769572

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC3-(7-cyclopentyl-5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide

SMILESCCOc1ccc(S(=O)(=O)NCC(O)c2cccc(C(F)(F)F)c2)cc1-c1nn2c(C3CCCC3)nc(C)c2c(=O)[nH]1

InChIInChI=1S/C28H30F3N5O5S/c1-3-41-23-12-11-20(42(39,40)32-15-22(37)18-9-6-10-19(13-18)28(29,30)31)14-21(23)25-34-27(38)24-16(2)33-26(36(24)35-25)17-7-4-5-8-17/h6,9-14,17,22,32,37H,3-5,7-8,15H2,1-2H3,(H,34,35,38)

InChIKeyUUYIOXGBRXVJGI-UHFFFAOYSA-N

MW605.64 g/mol

LogP4.48

Rot. Bonds9

About UUYIOXGBRXVJGI-UHFFFAOYSA-N

UUYIOXGBRXVJGI-UHFFFAOYSA-N (PubChem CID 135769572) has the molecular formula C₂₈H₃₀F₃N₅O₅S and a molecular weight of 605.64 g/mol. Its IUPAC name is 3-(7-cyclopentyl-5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name	UUYIOXGBRXVJGI-UHFFFAOYSA-N
PubChem CID	135769572
Molecular Formula	C₂₈H₃₀F₃N₅O₅S
Molecular Weight	605.64 g/mol
Exact Mass	605.19
IUPAC Name	3-(7-cyclopentyl-5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
SMILES	CCOc1ccc(S(=O)(=O)NCC(O)c2cccc(C(F)(F)F)c2)cc1-c1nn2c(C3CCCC3)nc(C)c2c(=O)[nH]1
InChI	InChI=1S/C28H30F3N5O5S/c1-3-41-23-12-11-20(42(39,40)32-15-22(37)18-9-6-10-19(13-18)28(29,30)31)14-21(23)25-34-27(38)24-16(2)33-26(36(24)35-25)17-7-4-5-8-17/h6,9-14,17,22,32,37H,3-5,7-8,15H2,1-2H3,(H,34,35,38)
InChIKey	UUYIOXGBRXVJGI-UHFFFAOYSA-N
XLogP	4.48
TPSA	138.68 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	42
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	605.64
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of UUYIOXGBRXVJGI-UHFFFAOYSA-N?

The IUPAC name of UUYIOXGBRXVJGI-UHFFFAOYSA-N (CID 135769572) is 3-(7-cyclopentyl-5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)-4-ethoxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide.

What is the SMILES notation for UUYIOXGBRXVJGI-UHFFFAOYSA-N?

The canonical SMILES for UUYIOXGBRXVJGI-UHFFFAOYSA-N is CCOc1ccc(S(=O)(=O)NCC(O)c2cccc(C(F)(F)F)c2)cc1-c1nn2c(C3CCCC3)nc(C)c2c(=O)[nH]1.

What is the InChIKey of UUYIOXGBRXVJGI-UHFFFAOYSA-N?

The InChIKey is UUYIOXGBRXVJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N5O5S/c1-3-41-23-12-11-20(42(39,40)32-15-22(37)18-9-6-10-19(13-18)28(29,30)31)14-21(23)25-34-27(38)24-16(2)33-26(36(24)35-25)17-7-4-5-8-17/h6,9-14,17,22,32,37H,3-5,7-8,15H2,1-2H3,(H,34,35,38).

What are the key properties of UUYIOXGBRXVJGI-UHFFFAOYSA-N?

UUYIOXGBRXVJGI-UHFFFAOYSA-N has a molecular weight of 605.64 g/mol, XLogP of 4.48, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for UUYIOXGBRXVJGI-UHFFFAOYSA-N is sourced from PubChem (CID 135769572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 135769572 — identifiers, structure, computed properties (public domain)

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