N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide

C26H28N4O2 — CID 24793232

IUPACN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)CCN2Cc3ccccc3C2=O)c1
InChIInChI=1S/C26H28N4O2/c1-17-12-18(2)14-20(13-17)30-24-9-5-8-23(22(24)15-27-30)28-25(31)10-11-29-16-19-6-3-4-7-21(19)26(29)32/h3-4,6-7,12-15,23H,5,8-11,16H2,1-2H3,(H,28,31)
InChIKeyZNBHRIPVSXZONR-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.03
Rot. Bonds5

About N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 24793232) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID24793232
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)CCN2Cc3ccccc3C2=O)c1
InChIInChI=1S/C26H28N4O2/c1-17-12-18(2)14-20(13-17)30-24-9-5-8-23(22(24)15-27-30)28-25(31)10-11-29-16-19-6-3-4-7-21(19)26(29)32/h3-4,6-7,12-15,23H,5,8-11,16H2,1-2H3,(H,28,31)
InChIKeyZNBHRIPVSXZONR-UHFFFAOYSA-N
XLogP4.03
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide with MolForge

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Related Compounds

Epz005687
CID 60160561
5-[1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CID 25093327
N-Ethyl-2,6-dimethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
CID 45271025
N-(3-methylphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 3510494
hCB1 Inhibitor, 2{1,1,8}
CID 11465875
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)amino]butyl]benzamide
CID 52937776
4-phenyl-N-[4-[propyl-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]amino]butyl]benzamide
CID 52937876
N-(3-acetylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850362
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24817447
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide
CID 24791863
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,5-dimethyl-3-pyrazolecarboxamide
CID 24792000
2-(4-(pyrrolidin-2-yl)phenyl)-2H-indazole-7-carboxamide
CID 44549378

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide (CID 24793232) is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide is Cc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)CCN2Cc3ccccc3C2=O)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is ZNBHRIPVSXZONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-17-12-18(2)14-20(13-17)30-24-9-5-8-23(22(24)15-27-30)28-25(31)10-11-29-16-19-6-3-4-7-21(19)26(29)32/h3-4,6-7,12-15,23H,5,8-11,16H2,1-2H3,(H,28,31).
What are the key properties of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 428.54 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 24793232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).