4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole

C34H38N4 — CID 161254198

IUPAC4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccccc1C)C2(C)C
InChIInChI=1S/C34H38N4/c1-7-24-14-11-15-25(8-2)31(24)38-32(28-17-16-23(4)30-27(28)18-19-35-30)29-21-37(34(5,6)33(29)36-38)20-26-13-10-9-12-22(26)3/h9-19,35H,7-8,20-21H2,1-6H3
InChIKeyMOACNPIZFSZBPO-UHFFFAOYSA-N
MW502.71 g/mol
LogP8.01
Rot. Bonds6

About 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole

4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole (PubChem CID 161254198) has the molecular formula C34H38N4 and a molecular weight of 502.71 g/mol. Its IUPAC name is 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole.

Molecular Properties

Compound Name4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
PubChem CID161254198
Molecular FormulaC34H38N4
Molecular Weight502.71 g/mol
Exact Mass502.31
IUPAC Name4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccccc1C)C2(C)C
InChIInChI=1S/C34H38N4/c1-7-24-14-11-15-25(8-2)31(24)38-32(28-17-16-23(4)30-27(28)18-19-35-30)29-21-37(34(5,6)33(29)36-38)20-26-13-10-9-12-22(26)3/h9-19,35H,7-8,20-21H2,1-6H3
InChIKeyMOACNPIZFSZBPO-UHFFFAOYSA-N
XLogP8.01
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.71
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2,6-diethylphenyl)-6,6-dimethyl-4,5-dihydrocyclopenta[c]pyrazol-3-yl]-7-fluoro-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;1-[2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-5-yl]-3,3,3-trifluoro-2,2-dimethylpropan-1-one;3,3,3-trifluoro-2,2-dimethylpropanoyl chloride;hydrochloride
CID 158005889
N-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2,5-difluorophenyl]acetamide
CID 159836181
[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluoro-5-methylphenyl]urea
CID 158927079
2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane
CID 142488578
[2-(phosphonooxymethyl)phenyl] 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate
CID 153157284
bromo(trimethyl)silane;(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole;[4-[ethoxy(methyl)phosphoryl]oxyphenyl]methyl carbonochloridate;(4-phosphonooxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate
CID 161005565
1-[4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-2-fluorophenyl]ethanone
CID 159203465
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate
CID 147897426
(4-diethoxyphosphoryloxyphenyl)methyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate
CID 161005566
(2S)-2-[[4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindol-1-yl]amino]-3-sulfanylpropanoic acid
CID 153436831
5-[5-[(2-chloro-5-methylphenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;2-(2,6-diethylphenyl)-5-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]-3-(1H-inden-4-yl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole;5-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole;2-(2,6-diethylphenyl)-3-(1H-inden-4-yl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
CID 167542424
tert-butyl 3-(3-chloro-7-fluoro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazole-5-carboxylate
CID 137352116

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?
The IUPAC name of 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole (CID 161254198) is 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole.
What is the SMILES notation for 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?
The canonical SMILES for 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccccc1C)C2(C)C.
What is the InChIKey of 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?
The InChIKey is MOACNPIZFSZBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38N4/c1-7-24-14-11-15-25(8-2)31(24)38-32(28-17-16-23(4)30-27(28)18-19-35-30)29-21-37(34(5,6)33(29)36-38)20-26-13-10-9-12-22(26)3/h9-19,35H,7-8,20-21H2,1-6H3.
What are the key properties of 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?
4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole has a molecular weight of 502.71 g/mol, XLogP of 8.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole is sourced from PubChem (CID 161254198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).