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

C136H138ClF11N14 — CID 167542424

IUPAC5-[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
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1cc(C)ccc1Cl)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1ccccc1C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1ccc(C(C)(F)F)cc1C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1ccccc1C(F)(F)F)C2(C)C
InChIInChI=1S/C36H36F5N3.C34H34F3N3.C33H35ClN4.C33H33F3N4/c1-6-22-11-8-12-23(7-2)31(22)44-32(28-16-10-14-24-13-9-15-27(24)28)29-21-43(34(3,4)33(29)42-44)20-25-17-18-26(35(5,37)38)19-30(25)36(39,40)41;1-5-22-13-9-14-23(6-2)30(22)40-31(27-18-11-16-24-15-10-17-26(24)27)28-21-39(33(3,4)32(28)38-40)20-25-12-7-8-19-29(25)34(35,36)37;1-6-22-9-8-10-23(7-2)30(22)38-31(25-12-14-29-24(18-25)15-16-35-29)27-20-37(33(4,5)32(27)36-38)19-26-17-21(3)11-13-28(26)34;1-5-21-11-9-12-22(6-2)29(21)40-30(24-14-15-28-23(18-24)16-17-37-28)26-20-39(32(3,4)31(26)38-40)19-25-10-7-8-13-27(25)33(34,35)36/h8-12,14-19H,6-7,13,20-21H2,1-5H3;7-14,16-19H,5-6,15,20-21H2,1-4H3;8-18,35H,6-7,19-20H2,1-5H3;7-18,37H,5-6,19-20H2,1-4H3
InChIKeyBJEPLVXHTFQBRS-UHFFFAOYSA-N
MW2213.13 g/mol
LogP34.89
Rot. Bonds25

About 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

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 (PubChem CID 167542424) has the molecular formula C136H138ClF11N14 and a molecular weight of 2213.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID167542424
Molecular FormulaC136H138ClF11N14
Molecular Weight2213.13 g/mol
Exact Mass2211.07
IUPAC Name5-[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
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1cc(C)ccc1Cl)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1ccccc1C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1ccc(C(C)(F)F)cc1C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1ccccc1C(F)(F)F)C2(C)C
InChIInChI=1S/C36H36F5N3.C34H34F3N3.C33H35ClN4.C33H33F3N4/c1-6-22-11-8-12-23(7-2)31(22)44-32(28-16-10-14-24-13-9-15-27(24)28)29-21-43(34(3,4)33(29)42-44)20-25-17-18-26(35(5,37)38)19-30(25)36(39,40)41;1-5-22-13-9-14-23(6-2)30(22)40-31(27-18-11-16-24-15-10-17-26(24)27)28-21-39(33(3,4)32(28)38-40)20-25-12-7-8-19-29(25)34(35,36)37;1-6-22-9-8-10-23(7-2)30(22)38-31(25-12-14-29-24(18-25)15-16-35-29)27-20-37(33(4,5)32(27)36-38)19-26-17-21(3)11-13-28(26)34;1-5-21-11-9-12-22(6-2)29(21)40-30(24-14-15-28-23(18-24)16-17-37-28)26-20-39(32(3,4)31(26)38-40)19-25-10-7-8-13-27(25)33(34,35)36/h8-12,14-19H,6-7,13,20-21H2,1-5H3;7-14,16-19H,5-6,15,20-21H2,1-4H3;8-18,35H,6-7,19-20H2,1-5H3;7-18,37H,5-6,19-20H2,1-4H3
InChIKeyBJEPLVXHTFQBRS-UHFFFAOYSA-N
XLogP34.89
TPSA115.82 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds25
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002213.13
LogP ≤ 534.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1cc(C)ccc1Cl)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc3[nH]ccc3c1)CN(Cc1ccccc1C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1ccc(C(C)(F)F)cc1C(F)(F)F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C=CC3)CN(Cc1ccccc1C(F)(F)F)C2(C)C.
What is the InChIKey of 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?
The InChIKey is BJEPLVXHTFQBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F5N3.C34H34F3N3.C33H35ClN4.C33H33F3N4/c1-6-22-11-8-12-23(7-2)31(22)44-32(28-16-10-14-24-13-9-15-27(24)28)29-21-43(34(3,4)33(29)42-44)20-25-17-18-26(35(5,37)38)19-30(25)36(39,40)41;1-5-22-13-9-14-23(6-2)30(22)40-31(27-18-11-16-24-15-10-17-26(24)27)28-21-39(33(3,4)32(28)38-40)20-25-12-7-8-19-29(25)34(35,36)37;1-6-22-9-8-10-23(7-2)30(22)38-31(25-12-14-29-24(18-25)15-16-35-29)27-20-37(33(4,5)32(27)36-38)19-26-17-21(3)11-13-28(26)34;1-5-21-11-9-12-22(6-2)29(21)40-30(24-14-15-28-23(18-24)16-17-37-28)26-20-39(32(3,4)31(26)38-40)19-25-10-7-8-13-27(25)33(34,35)36/h8-12,14-19H,6-7,13,20-21H2,1-5H3;7-14,16-19H,5-6,15,20-21H2,1-4H3;8-18,35H,6-7,19-20H2,1-5H3;7-18,37H,5-6,19-20H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2213.13 g/mol, XLogP of 34.89, 25 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167542424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).