4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide

C26H27FN4O2 — CID 144999938

IUPAC4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide
SMILESCC1(C)Cc2[nH]nc(-c3ccc4c(c3)CN(Cc3ccc(C(=O)NCCF)cc3)C4=O)c2C1
InChIInChI=1S/C26H27FN4O2/c1-26(2)12-21-22(13-26)29-30-23(21)18-7-8-20-19(11-18)15-31(25(20)33)14-16-3-5-17(6-4-16)24(32)28-10-9-27/h3-8,11H,9-10,12-15H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyWDUFGFIZJUTKDK-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.06
Rot. Bonds6

About 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide

4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide (PubChem CID 144999938) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide
PubChem CID144999938
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide
SMILESCC1(C)Cc2[nH]nc(-c3ccc4c(c3)CN(Cc3ccc(C(=O)NCCF)cc3)C4=O)c2C1
InChIInChI=1S/C26H27FN4O2/c1-26(2)12-21-22(13-26)29-30-23(21)18-7-8-20-19(11-18)15-31(25(20)33)14-16-3-5-17(6-4-16)24(32)28-10-9-27/h3-8,11H,9-10,12-15H2,1-2H3,(H,28,32)(H,29,30)
InChIKeyWDUFGFIZJUTKDK-UHFFFAOYSA-N
XLogP4.06
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide with MolForge

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Related Compounds

acetylene;N-[(2R)-butan-2-yl]-4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]benzamide;methanol
CID 145000285
N-[(2R)-butan-2-yl]-4-[[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]benzamide;methanol
CID 145000552
4-[1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]-N-propan-2-ylbenzamide
CID 144999590
4-[(1S)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-2-hydroxyprop-2-enyl]-N-(1-methylcyclopropyl)benzamide
CID 145000241
N-cyclopentyl-4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzamide
CID 145000099
5-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-2-[(1R,2R)-2-(hydroxymethyl)-1-propan-2-ylcyclopropyl]-3H-isoindol-1-one
CID 145000363
tert-butyl N-[(3S)-1-[4-[(1R)-1-[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]ethyl]benzoyl]pyrrolidin-3-yl]carbamate
CID 145000090
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2,3-dihydroisoindol-1-one
CID 144999746
N-(2-benzyl-1-oxo-3H-isoindol-5-yl)-4-(trifluoromethyl)benzamide
CID 58708248
2-[(4-chlorophenyl)methyl]-3-oxo-N-(pyrimidin-5-ylmethyl)-1H-isoindole-5-carboxamide
CID 10453162
N,N-dimethyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]benzamide
CID 166530339
4-[(2,2-dimethyl-3,5-dioxopiperazin-1-yl)methyl]benzohydrazide
CID 66074446

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide?
The IUPAC name of 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide (CID 144999938) is 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide.
What is the SMILES notation for 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide?
The canonical SMILES for 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide is CC1(C)Cc2[nH]nc(-c3ccc4c(c3)CN(Cc3ccc(C(=O)NCCF)cc3)C4=O)c2C1.
What is the InChIKey of 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide?
The InChIKey is WDUFGFIZJUTKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-26(2)12-21-22(13-26)29-30-23(21)18-7-8-20-19(11-18)15-31(25(20)33)14-16-3-5-17(6-4-16)24(32)28-10-9-27/h3-8,11H,9-10,12-15H2,1-2H3,(H,28,32)(H,29,30).
What are the key properties of 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide?
4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]methyl]-N-(2-fluoroethyl)benzamide is sourced from PubChem (CID 144999938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).