N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C28H16ClF6N5O2 — CID 166821946

IUPACN-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2cc3ncnn3cc2F)cc2c1C(c1cc(F)ccc1Cl)NC2O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H16ClF6N5O2/c29-20-2-1-15(30)8-18(20)25-24-19(27(42)39-25)5-12(17-9-23-36-11-37-40(23)10-21(17)32)6-22(24)38-26(41)13-3-14(28(33,34)35)7-16(31)4-13/h1-11,25,27,39,42H,(H,38,41)
InChIKeyXXMYMRBDEUQYIF-UHFFFAOYSA-N
MW603.91 g/mol
LogP6.42
Rot. Bonds4

About N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 166821946) has the molecular formula C28H16ClF6N5O2 and a molecular weight of 603.91 g/mol. Its IUPAC name is N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID166821946
Molecular FormulaC28H16ClF6N5O2
Molecular Weight603.91 g/mol
Exact Mass603.09
IUPAC NameN-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2cc3ncnn3cc2F)cc2c1C(c1cc(F)ccc1Cl)NC2O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C28H16ClF6N5O2/c29-20-2-1-15(30)8-18(20)25-24-19(27(42)39-25)5-12(17-9-23-36-11-37-40(23)10-21(17)32)6-22(24)38-26(41)13-3-14(28(33,34)35)7-16(31)4-13/h1-11,25,27,39,42H,(H,38,41)
InChIKeyXXMYMRBDEUQYIF-UHFFFAOYSA-N
XLogP6.42
TPSA91.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.91
LogP ≤ 56.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide 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 N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 166821946) is N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is O=C(Nc1cc(-c2cc3ncnn3cc2F)cc2c1C(c1cc(F)ccc1Cl)NC2O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is XXMYMRBDEUQYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16ClF6N5O2/c29-20-2-1-15(30)8-18(20)25-24-19(27(42)39-25)5-12(17-9-23-36-11-37-40(23)10-21(17)32)6-22(24)38-26(41)13-3-14(28(33,34)35)7-16(31)4-13/h1-11,25,27,39,42H,(H,38,41).
What are the key properties of N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 603.91 g/mol, XLogP of 6.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-fluorophenyl)-6-(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-hydroxy-2,3-dihydro-1H-isoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166821946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).