4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide

C24H23F4N3O3 — CID 176960644

IUPAC4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)(O)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4cc(F)c(F)c(F)c4C3)c(F)c2)CC1
InChIInChI=1S/C24H23F4N3O3/c1-24(2,34)22(32)30-7-5-13(6-8-30)14-3-4-19(17(25)9-14)29-23(33)31-11-15-10-18(26)21(28)20(27)16(15)12-31/h3-5,9-10,34H,6-8,11-12H2,1-2H3,(H,29,33)
InChIKeySBKYVDHJCBURPL-UHFFFAOYSA-N
MW477.46 g/mol
LogP4.18
Rot. Bonds3

About 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide

4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide (PubChem CID 176960644) has the molecular formula C24H23F4N3O3 and a molecular weight of 477.46 g/mol. Its IUPAC name is 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound Name4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
PubChem CID176960644
Molecular FormulaC24H23F4N3O3
Molecular Weight477.46 g/mol
Exact Mass477.17
IUPAC Name4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
SMILESCC(C)(O)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4cc(F)c(F)c(F)c4C3)c(F)c2)CC1
InChIInChI=1S/C24H23F4N3O3/c1-24(2,34)22(32)30-7-5-13(6-8-30)14-3-4-19(17(25)9-14)29-23(33)31-11-15-10-18(26)21(28)20(27)16(15)12-31/h3-5,9-10,34H,6-8,11-12H2,1-2H3,(H,29,33)
InChIKeySBKYVDHJCBURPL-UHFFFAOYSA-N
XLogP4.18
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide with MolForge

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Related Compounds

N-[5-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2-pyridinyl]-1,3-dihydroisoindole-2-carboxamide
CID 68753181
N-[4-[1-(2-acetamido-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960344
N-(2-tert-butylphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 3780951
5-fluoro-N-[4-[1-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoacetyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960401
N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 4987994
N-[4-[1-(dimethylaminosulfanylcarbamoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176961080
tert-butyl 4-[4-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 68751289
tert-butyl 4-[4-(2,2-dibromoethenyl)-3-fluorophenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134362502
tert-butyl 4-[4-[5-[2-fluoro-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-4-propan-2-yl-1,2,4-triazol-3-yl]-3-(propan-2-ylamino)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170665241
N-[4-(1-acetylsulfinamoyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960683
N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 46277479
N-(2,4-difluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 53161157

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide (CID 176960644) is 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide is CC(C)(O)C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4cc(F)c(F)c(F)c4C3)c(F)c2)CC1.
What is the InChIKey of 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is SBKYVDHJCBURPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O3/c1-24(2,34)22(32)30-7-5-13(6-8-30)14-3-4-19(17(25)9-14)29-23(33)31-11-15-10-18(26)21(28)20(27)16(15)12-31/h3-5,9-10,34H,6-8,11-12H2,1-2H3,(H,29,33).
What are the key properties of 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide?
4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 477.46 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trifluoro-N-[2-fluoro-4-[1-(2-hydroxy-2-methylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 176960644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).