N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

C32H22F2N4O3S — CID 142384417

IUPACN-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(N[C@H](Cc1ccccn1)CN1C(=O)c2ccccc2C1=O)c1cccc(F)c1-c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C32H22F2N4O3S/c33-20-13-11-19(12-14-20)27-17-36-30(42-27)28-25(9-5-10-26(28)34)29(39)37-22(16-21-6-3-4-15-35-21)18-38-31(40)23-7-1-2-8-24(23)32(38)41/h1-15,17,22H,16,18H2,(H,37,39)/t22-/m1/s1
InChIKeyGBPVAVLLMQUSSM-JOCHJYFZSA-N
MW580.62 g/mol
LogP5.79
Rot. Bonds8

About N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide

N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 142384417) has the molecular formula C32H22F2N4O3S and a molecular weight of 580.62 g/mol. Its IUPAC name is N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID142384417
Molecular FormulaC32H22F2N4O3S
Molecular Weight580.62 g/mol
Exact Mass580.14
IUPAC NameN-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(N[C@H](Cc1ccccn1)CN1C(=O)c2ccccc2C1=O)c1cccc(F)c1-c1ncc(-c2ccc(F)cc2)s1
InChIInChI=1S/C32H22F2N4O3S/c33-20-13-11-19(12-14-20)27-17-36-30(42-27)28-25(9-5-10-26(28)34)29(39)37-22(16-21-6-3-4-15-35-21)18-38-31(40)23-7-1-2-8-24(23)32(38)41/h1-15,17,22H,16,18H2,(H,37,39)/t22-/m1/s1
InChIKeyGBPVAVLLMQUSSM-JOCHJYFZSA-N
XLogP5.79
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.62
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide
CID 1262356
[2-[5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]-1,3-thiazol-2-yl]phenyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 44570568
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(thiazol-5-yl)phenyl)methanone
CID 46880812
N-[4-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 57510785
3-N-[(1R)-1-phenylpropyl]-1-N-(1,3-thiazol-2-ylmethyl)-5,6,7,8-tetrahydroindolizine-1,3-dicarboxamide
CID 71696130
N-[2-(4,4-difluoropiperidin-1-yl)-2-(2-propyl-1,3-thiazol-5-yl)ethyl]quinoline-5-carboxamide
CID 118303010
N-[2-(2-cyclobutyl-1,3-thiazol-5-yl)-2-(4,4-difluoropiperidin-1-yl)ethyl]quinoline-5-carboxamide
CID 118303013
US10301306, Example 60
CID 146012391
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 156907590
2-[2-(2-Pyridin-3-yl-1,3-thiazol-4-yl)ethyl]isoindole-1,3-dione
CID 1473463
2,4-Difluoro-N-(5-(5-(2-methyl-1-oxoisoindolin-5-yl)thiophen-2-yl)pyridin-3-yl)benzamide
CID 73295953
2,4-Difluoro-N-(5-(2-(2-methyl-1-oxoisoindolin-5-yl)thiazol-5-yl)pyridin-3-yl)benzenesulphonamide
CID 73297195

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 142384417) is N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is O=C(N[C@H](Cc1ccccn1)CN1C(=O)c2ccccc2C1=O)c1cccc(F)c1-c1ncc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is GBPVAVLLMQUSSM-JOCHJYFZSA-N. The full InChI is InChI=1S/C32H22F2N4O3S/c33-20-13-11-19(12-14-20)27-17-36-30(42-27)28-25(9-5-10-26(28)34)29(39)37-22(16-21-6-3-4-15-35-21)18-38-31(40)23-7-1-2-8-24(23)32(38)41/h1-15,17,22H,16,18H2,(H,37,39)/t22-/m1/s1.
What are the key properties of N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide?
N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 580.62 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-pyridin-2-ylpropan-2-yl]-3-fluoro-2-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 142384417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).