Skip to content

RSBGWGGUEZZQJO-UHFFFAOYSA-N

C24H18ClF3N8O2 — CID 155792087

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(-c3ccccn3)n2)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C24H18ClF3N8O2/c1-38-18-10-13(5-6-14(18)22(37)30-12-24(26,27)28)21-33-23(36(35-21)19-4-2-3-9-29-19)32-17-8-7-16-15(20(17)25)11-31-34-16/h2-11H,12H2,1H3,(H,30,37)(H,31,34)(H,32,33,35)
InChIKeyRSBGWGGUEZZQJO-UHFFFAOYSA-N
MW542.91 g/mol
LogP4.90
Rot. Bonds7

About RSBGWGGUEZZQJO-UHFFFAOYSA-N

RSBGWGGUEZZQJO-UHFFFAOYSA-N (PubChem CID 155792087) has the molecular formula C24H18ClF3N8O2 and a molecular weight of 542.91 g/mol. Its IUPAC name is 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound NameRSBGWGGUEZZQJO-UHFFFAOYSA-N
PubChem CID155792087
Molecular FormulaC24H18ClF3N8O2
Molecular Weight542.91 g/mol
Exact Mass542.12
IUPAC Name4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(-c3ccccn3)n2)ccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C24H18ClF3N8O2/c1-38-18-10-13(5-6-14(18)22(37)30-12-24(26,27)28)21-33-23(36(35-21)19-4-2-3-9-29-19)32-17-8-7-16-15(20(17)25)11-31-34-16/h2-11H,12H2,1H3,(H,30,37)(H,31,34)(H,32,33,35)
InChIKeyRSBGWGGUEZZQJO-UHFFFAOYSA-N
XLogP4.90
TPSA122.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.91
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze RSBGWGGUEZZQJO-UHFFFAOYSA-N with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of RSBGWGGUEZZQJO-UHFFFAOYSA-N?
The IUPAC name of RSBGWGGUEZZQJO-UHFFFAOYSA-N (CID 155792087) is 4-[5-[(4-chloro-1H-indazol-5-yl)amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for RSBGWGGUEZZQJO-UHFFFAOYSA-N?
The canonical SMILES for RSBGWGGUEZZQJO-UHFFFAOYSA-N is COc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(-c3ccccn3)n2)ccc1C(=O)NCC(F)(F)F.
What is the InChIKey of RSBGWGGUEZZQJO-UHFFFAOYSA-N?
The InChIKey is RSBGWGGUEZZQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N8O2/c1-38-18-10-13(5-6-14(18)22(37)30-12-24(26,27)28)21-33-23(36(35-21)19-4-2-3-9-29-19)32-17-8-7-16-15(20(17)25)11-31-34-16/h2-11H,12H2,1H3,(H,30,37)(H,31,34)(H,32,33,35).
What are the key properties of RSBGWGGUEZZQJO-UHFFFAOYSA-N?
RSBGWGGUEZZQJO-UHFFFAOYSA-N has a molecular weight of 542.91 g/mol, XLogP of 4.90, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for RSBGWGGUEZZQJO-UHFFFAOYSA-N is sourced from PubChem (CID 155792087), 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

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.