[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate

C33H20Cl2F4N4O6 — CID 145199340

IUPAC[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cc(F)cc(-c2ccc3cccc(C(=O)OCC(=O)Nc4ncc(C(F)(F)F)cc4Cl)c3c2)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C33H20Cl2F4N4O6/c34-22-6-7-27(40-14-22)42-28(44)15-48-31(46)20-8-19(9-23(36)10-20)18-5-4-17-2-1-3-24(25(17)11-18)32(47)49-16-29(45)43-30-26(35)12-21(13-41-30)33(37,38)39/h1-14H,15-16H2,(H,40,42,44)(H,41,43,45)
InChIKeyIUMGXNJJLWVDAV-UHFFFAOYSA-N
MW715.44 g/mol
LogP7.35
Rot. Bonds9

About [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate

[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate (PubChem CID 145199340) has the molecular formula C33H20Cl2F4N4O6 and a molecular weight of 715.44 g/mol. Its IUPAC name is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate.

Molecular Properties

Compound Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate
PubChem CID145199340
Molecular FormulaC33H20Cl2F4N4O6
Molecular Weight715.44 g/mol
Exact Mass714.07
IUPAC Name[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate
SMILESO=C(COC(=O)c1cc(F)cc(-c2ccc3cccc(C(=O)OCC(=O)Nc4ncc(C(F)(F)F)cc4Cl)c3c2)c1)Nc1ccc(Cl)cn1
InChIInChI=1S/C33H20Cl2F4N4O6/c34-22-6-7-27(40-14-22)42-28(44)15-48-31(46)20-8-19(9-23(36)10-20)18-5-4-17-2-1-3-24(25(17)11-18)32(47)49-16-29(45)43-30-26(35)12-21(13-41-30)33(37,38)39/h1-14H,15-16H2,(H,40,42,44)(H,41,43,45)
InChIKeyIUMGXNJJLWVDAV-UHFFFAOYSA-N
XLogP7.35
TPSA136.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.44
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate 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-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 2554738
[2-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] anthracene-9-carboxylate
CID 2385598
{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]carbamoyl}methyl naphthalene-2-carboxylate
CID 4143285
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 2520095
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2388151
{[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]carbamoyl}methyl naphthalene-1-carboxylate
CID 2385596
[2-[(5-Chloropyridin-2-yl)amino]-2-oxoethyl] 4-fluorobenzoate
CID 2497169
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2372963
[2-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2443232
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 4-fluorobenzoate
CID 2112426
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 2-fluorobenzoate
CID 2376810
[2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 3-fluorobenzoate
CID 2385544

Frequently Asked Questions

What is the IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate?
The IUPAC name of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate (CID 145199340) is [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate.
What is the SMILES notation for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate?
The canonical SMILES for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate is O=C(COC(=O)c1cc(F)cc(-c2ccc3cccc(C(=O)OCC(=O)Nc4ncc(C(F)(F)F)cc4Cl)c3c2)c1)Nc1ccc(Cl)cn1.
What is the InChIKey of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate?
The InChIKey is IUMGXNJJLWVDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20Cl2F4N4O6/c34-22-6-7-27(40-14-22)42-28(44)15-48-31(46)20-8-19(9-23(36)10-20)18-5-4-17-2-1-3-24(25(17)11-18)32(47)49-16-29(45)43-30-26(35)12-21(13-41-30)33(37,38)39/h1-14H,15-16H2,(H,40,42,44)(H,41,43,45).
What are the key properties of [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate?
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate has a molecular weight of 715.44 g/mol, XLogP of 7.35, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethyl] 7-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethoxy]carbonyl-5-fluorophenyl]naphthalene-1-carboxylate is sourced from PubChem (CID 145199340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).