N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide

C26H31N3O4 — CID 24817088

IUPACN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(OC)c1OC
InChIInChI=1S/C26H31N3O4/c1-16-9-7-8-10-20(16)29-21-14-26(2,3)13-19(18(21)15-27-29)28-25(30)17-11-12-22(31-4)24(33-6)23(17)32-5/h7-12,15,19H,13-14H2,1-6H3,(H,28,30)
InChIKeyZXLOVQQNWVJKPM-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.65
Rot. Bonds6

About N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide

N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide (PubChem CID 24817088) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide
PubChem CID24817088
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(OC)c1OC
InChIInChI=1S/C26H31N3O4/c1-16-9-7-8-10-20(16)29-21-14-26(2,3)13-19(18(21)15-27-29)28-25(30)17-11-12-22(31-4)24(33-6)23(17)32-5/h7-12,15,19H,13-14H2,1-6H3,(H,28,30)
InChIKeyZXLOVQQNWVJKPM-UHFFFAOYSA-N
XLogP4.65
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 24791220
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,2-dimethylpropanamide
CID 26327369
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-3,4,5-trimethoxybenzamide
CID 42591856
N'-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-N-propyloxamide
CID 72853657
2-chloro-4-[[[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]methyl]-6-methoxyphenol
CID 25478017
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 25370066
N-[(4R)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-carboxamide
CID 42457754
N-(furan-3-ylmethyl)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-amine
CID 45208161
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-5-methylpyrazine-2-carboxamide
CID 42515367
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 24793131
N-[(4S)-6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]morpholine-4-sulfonamide
CID 97156493
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
CID 26333048

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide (CID 24817088) is N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2C)c(OC)c1OC.
What is the InChIKey of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide?
The InChIKey is ZXLOVQQNWVJKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-16-9-7-8-10-20(16)29-21-14-26(2,3)13-19(18(21)15-27-29)28-25(30)17-11-12-22(31-4)24(33-6)23(17)32-5/h7-12,15,19H,13-14H2,1-6H3,(H,28,30).
What are the key properties of N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide?
N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide has a molecular weight of 449.55 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-1-(2-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 24817088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).