N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide

C21H15ClF4N4O4 — CID 175584777

IUPACN-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)NC(F)(c4ncc(Cl)cc4F)C(F)F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C21H15ClF4N4O4/c22-11-6-13(23)16(27-7-11)21(26,20(24)25)29-17(32)9-1-2-12-10(5-9)8-30(19(12)34)14-3-4-15(31)28-18(14)33/h1-2,5-7,14,20H,3-4,8H2,(H,29,32)(H,28,31,33)
InChIKeyHFCYMUPSSXLKRU-UHFFFAOYSA-N
MW498.82 g/mol
LogP2.45
Rot. Bonds5

About N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide

N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 175584777) has the molecular formula C21H15ClF4N4O4 and a molecular weight of 498.82 g/mol. Its IUPAC name is N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
PubChem CID175584777
Molecular FormulaC21H15ClF4N4O4
Molecular Weight498.82 g/mol
Exact Mass498.07
IUPAC NameN-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)NC(F)(c4ncc(Cl)cc4F)C(F)F)ccc3C2=O)C(=O)N1
InChIInChI=1S/C21H15ClF4N4O4/c22-11-6-13(23)16(27-7-11)21(26,20(24)25)29-17(32)9-1-2-12-10(5-9)8-30(19(12)34)14-3-4-15(31)28-18(14)33/h1-2,5-7,14,20H,3-4,8H2,(H,29,32)(H,28,31,33)
InChIKeyHFCYMUPSSXLKRU-UHFFFAOYSA-N
XLogP2.45
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.82
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide 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

N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
CID 175712709
N-[1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338810
N-[1-(3-chloro-5-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338858
N-[1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338801
(3S)-3-[6-[(3R)-3-(3,5-dichloro-2-pyridinyl)-4,4,4-trifluorobutanoyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 158699442
3-[6-(4-chlorobenzoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251278
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155339091
2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-N-[(1R)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-3H-isoindole-5-carboxamide
CID 155338947
N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
CID 167230602
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-3H-isoindole-5-carboxamide
CID 155338677
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1S)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]-3H-isoindole-5-carboxamide
CID 155338913
2-(2,6-dioxopiperidin-3-yl)-N-(3-methylbutan-2-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338775

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The IUPAC name of N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide (CID 175584777) is N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide.
What is the SMILES notation for N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The canonical SMILES for N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide is O=C1CCC(N2Cc3cc(C(=O)NC(F)(c4ncc(Cl)cc4F)C(F)F)ccc3C2=O)C(=O)N1.
What is the InChIKey of N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
The InChIKey is HFCYMUPSSXLKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF4N4O4/c22-11-6-13(23)16(27-7-11)21(26,20(24)25)29-17(32)9-1-2-12-10(5-9)8-30(19(12)34)14-3-4-15(31)28-18(14)33/h1-2,5-7,14,20H,3-4,8H2,(H,29,32)(H,28,31,33).
What are the key properties of N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?
N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 498.82 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-3-fluoro-2-pyridinyl)-1,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 175584777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).