3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole

C137H146ClF7N16 — CID 167548451

IUPAC3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]cc(Cl)c13)CN(Cc1ccccc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(F)cc1)C2(C)C
InChIInChI=1S/2C35H37F3N4.C34H37ClN4.C33H35FN4/c2*1-7-23-10-9-11-24(8-2)31(23)42-32(28-15-12-21(3)30-27(28)16-17-39-30)29-20-41(34(5,6)33(29)40-42)19-25-13-14-26(18-22(25)4)35(36,37)38;1-7-23-14-11-15-24(8-2)31(23)39-32(26-17-16-22(4)30-29(26)28(35)18-36-30)27-20-38(34(5,6)33(27)37-39)19-25-13-10-9-12-21(25)3;1-6-23-9-8-10-24(7-2)30(23)38-31(27-16-11-21(3)29-26(27)17-18-35-29)28-20-37(33(4,5)32(28)36-38)19-22-12-14-25(34)15-13-22/h2*9-18,39H,7-8,19-20H2,1-6H3;9-18,36H,7-8,19-20H2,1-6H3;8-18,35H,6-7,19-20H2,1-5H3
InChIKeyCCEMEBSZVQVTRU-UHFFFAOYSA-N
MW2185.23 g/mol
LogP34.57
Rot. Bonds24

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

3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole (PubChem CID 167548451) has the molecular formula C137H146ClF7N16 and a molecular weight of 2185.23 g/mol. Its IUPAC name is 3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole.

Molecular Properties

Compound Name3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
PubChem CID167548451
Molecular FormulaC137H146ClF7N16
Molecular Weight2185.23 g/mol
Exact Mass2183.15
IUPAC Name3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]cc(Cl)c13)CN(Cc1ccccc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(F)cc1)C2(C)C
InChIInChI=1S/2C35H37F3N4.C34H37ClN4.C33H35FN4/c2*1-7-23-10-9-11-24(8-2)31(23)42-32(28-15-12-21(3)30-27(28)16-17-39-30)29-20-41(34(5,6)33(29)40-42)19-25-13-14-26(18-22(25)4)35(36,37)38;1-7-23-14-11-15-24(8-2)31(23)39-32(26-17-16-22(4)30-29(26)28(35)18-36-30)27-20-38(34(5,6)33(27)37-39)19-25-13-10-9-12-21(25)3;1-6-23-9-8-10-24(7-2)30(23)38-31(27-16-11-21(3)29-26(27)17-18-35-29)28-20-37(33(4,5)32(28)36-38)19-22-12-14-25(34)15-13-22/h2*9-18,39H,7-8,19-20H2,1-6H3;9-18,36H,7-8,19-20H2,1-6H3;8-18,35H,6-7,19-20H2,1-5H3
InChIKeyCCEMEBSZVQVTRU-UHFFFAOYSA-N
XLogP34.57
TPSA147.40 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002185.23
LogP ≤ 534.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole with MolForge

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Related Compounds

3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 137351733
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-3-methyl-1H-indole
CID 137351735
4-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 137352115
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-3-fluoro-1H-indole
CID 137352228
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
CID 137352231
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 137352697
4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744885
4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-1H-indole
CID 145744887
4-[2-(2,6-diethylphenyl)-5-[(2-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744888
4-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744894
3-chloro-4-[5-[(4-chloro-2-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744897
4-[2-(2,6-diethylphenyl)-5-[(3-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744898

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?
The IUPAC name of 3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole (CID 167548451) is 3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole.
What is the SMILES notation for 3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?
The canonical SMILES for 3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]cc(Cl)c13)CN(Cc1ccccc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(F)cc1)C2(C)C.
What is the InChIKey of 3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?
The InChIKey is CCEMEBSZVQVTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H37F3N4.C34H37ClN4.C33H35FN4/c2*1-7-23-10-9-11-24(8-2)31(23)42-32(28-15-12-21(3)30-27(28)16-17-39-30)29-20-41(34(5,6)33(29)40-42)19-25-13-14-26(18-22(25)4)35(36,37)38;1-7-23-14-11-15-24(8-2)31(23)39-32(26-17-16-22(4)30-29(26)28(35)18-36-30)27-20-38(34(5,6)33(27)37-39)19-25-13-10-9-12-21(25)3;1-6-23-9-8-10-24(7-2)30(23)38-31(27-16-11-21(3)29-26(27)17-18-35-29)28-20-37(33(4,5)32(28)36-38)19-22-12-14-25(34)15-13-22/h2*9-18,39H,7-8,19-20H2,1-6H3;9-18,36H,7-8,19-20H2,1-6H3;8-18,35H,6-7,19-20H2,1-5H3.
What are the key properties of 3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?
3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole has a molecular weight of 2185.23 g/mol, XLogP of 34.57, 24 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[(2-methylphenyl)methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;bis(4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole);4-[2-(2,6-diethylphenyl)-5-[(4-fluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole is sourced from PubChem (CID 167548451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).