N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C29H15ClF7N5O2 — CID 166821384

IUPACN-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2cn3cc(C(F)F)nc3cn2)cc2c1C(c1cc(F)ccc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H15ClF7N5O2/c30-19-2-1-15(31)8-17(19)25-24-18(28(44)41-25)5-12(21-10-42-11-22(26(33)34)39-23(42)9-38-21)6-20(24)40-27(43)13-3-14(29(35,36)37)7-16(32)4-13/h1-11,25-26H,(H,40,43)(H,41,44)
InChIKeyDAMNNKDBZYEWLP-UHFFFAOYSA-N
MW633.91 g/mol
LogP7.37
Rot. Bonds5

About N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 166821384) has the molecular formula C29H15ClF7N5O2 and a molecular weight of 633.91 g/mol. Its IUPAC name is N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID166821384
Molecular FormulaC29H15ClF7N5O2
Molecular Weight633.91 g/mol
Exact Mass633.08
IUPAC NameN-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2cn3cc(C(F)F)nc3cn2)cc2c1C(c1cc(F)ccc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C29H15ClF7N5O2/c30-19-2-1-15(31)8-17(19)25-24-18(28(44)41-25)5-12(21-10-42-11-22(26(33)34)39-23(42)9-38-21)6-20(24)40-27(43)13-3-14(29(35,36)37)7-16(32)4-13/h1-11,25-26H,(H,40,43)(H,41,44)
InChIKeyDAMNNKDBZYEWLP-UHFFFAOYSA-N
XLogP7.37
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.91
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 166821384) is N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is O=C(Nc1cc(-c2cn3cc(C(F)F)nc3cn2)cc2c1C(c1cc(F)ccc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is DAMNNKDBZYEWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H15ClF7N5O2/c30-19-2-1-15(31)8-17(19)25-24-18(28(44)41-25)5-12(21-10-42-11-22(26(33)34)39-23(42)9-38-21)6-20(24)40-27(43)13-3-14(29(35,36)37)7-16(32)4-13/h1-11,25-26H,(H,40,43)(H,41,44).
What are the key properties of N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 633.91 g/mol, XLogP of 7.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-fluorophenyl)-6-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166821384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).