3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole

C133H139Cl2F6N17 — CID 167604722

IUPAC3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-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(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(F)cc1Cl)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(F)cc1F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccncc1)C2(C)C
InChIInChI=1S/C35H36ClF3N4.C33H34ClFN4.C33H34F2N4.C32H35N5/c1-7-22-10-9-11-23(8-2)31(22)43-32(26-15-12-20(3)30-29(26)28(36)17-40-30)27-19-42(34(5,6)33(27)41-43)18-24-13-14-25(16-21(24)4)35(37,38)39;1-6-21-9-8-10-22(7-2)30(21)39-31(26-14-11-20(3)29-25(26)15-16-36-29)27-19-38(33(4,5)32(27)37-39)18-23-12-13-24(35)17-28(23)34;1-6-21-9-8-10-22(7-2)30(21)39-31(26-14-11-20(3)29-25(26)15-16-36-29)27-19-38(33(4,5)32(27)37-39)18-23-12-13-24(34)17-28(23)35;1-6-23-9-8-10-24(7-2)29(23)37-30(26-12-11-21(3)28-25(26)15-18-34-28)27-20-36(32(4,5)31(27)35-37)19-22-13-16-33-17-14-22/h9-17,40H,7-8,18-19H2,1-6H3;2*8-17,36H,6-7,18-19H2,1-5H3;8-18,34H,6-7,19-20H2,1-5H3
InChIKeyKFLLBXMADAZOBI-UHFFFAOYSA-N
MW2160.59 g/mol
LogP33.27
Rot. Bonds24

About 3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole

3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole (PubChem CID 167604722) has the molecular formula C133H139Cl2F6N17 and a molecular weight of 2160.59 g/mol. Its IUPAC name is 3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-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-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole
PubChem CID167604722
Molecular FormulaC133H139Cl2F6N17
Molecular Weight2160.59 g/mol
Exact Mass2158.07
IUPAC Name3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-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(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(F)cc1Cl)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(F)cc1F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccncc1)C2(C)C
InChIInChI=1S/C35H36ClF3N4.C33H34ClFN4.C33H34F2N4.C32H35N5/c1-7-22-10-9-11-23(8-2)31(22)43-32(26-15-12-20(3)30-29(26)28(36)17-40-30)27-19-42(34(5,6)33(27)41-43)18-24-13-14-25(16-21(24)4)35(37,38)39;1-6-21-9-8-10-22(7-2)30(21)39-31(26-14-11-20(3)29-25(26)15-16-36-29)27-19-38(33(4,5)32(27)37-39)18-23-12-13-24(35)17-28(23)34;1-6-21-9-8-10-22(7-2)30(21)39-31(26-14-11-20(3)29-25(26)15-16-36-29)27-19-38(33(4,5)32(27)37-39)18-23-12-13-24(34)17-28(23)35;1-6-23-9-8-10-24(7-2)29(23)37-30(26-12-11-21(3)28-25(26)15-18-34-28)27-20-36(32(4,5)31(27)35-37)19-22-13-16-33-17-14-22/h9-17,40H,7-8,18-19H2,1-6H3;2*8-17,36H,6-7,18-19H2,1-5H3;8-18,34H,6-7,19-20H2,1-5H3
InChIKeyKFLLBXMADAZOBI-UHFFFAOYSA-N
XLogP33.27
TPSA160.29 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002160.59
LogP ≤ 533.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-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-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole (CID 167604722) is 3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-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-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-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-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-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(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(F)cc1Cl)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccc(F)cc1F)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(Cc1ccncc1)C2(C)C.
What is the InChIKey of 3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?
The InChIKey is KFLLBXMADAZOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClF3N4.C33H34ClFN4.C33H34F2N4.C32H35N5/c1-7-22-10-9-11-23(8-2)31(22)43-32(26-15-12-20(3)30-29(26)28(36)17-40-30)27-19-42(34(5,6)33(27)41-43)18-24-13-14-25(16-21(24)4)35(37,38)39;1-6-21-9-8-10-22(7-2)30(21)39-31(26-14-11-20(3)29-25(26)15-16-36-29)27-19-38(33(4,5)32(27)37-39)18-23-12-13-24(35)17-28(23)34;1-6-21-9-8-10-22(7-2)30(21)39-31(26-14-11-20(3)29-25(26)15-16-36-29)27-19-38(33(4,5)32(27)37-39)18-23-12-13-24(34)17-28(23)35;1-6-23-9-8-10-24(7-2)29(23)37-30(26-12-11-21(3)28-25(26)15-18-34-28)27-20-36(32(4,5)31(27)35-37)19-22-13-16-33-17-14-22/h9-17,40H,7-8,18-19H2,1-6H3;2*8-17,36H,6-7,18-19H2,1-5H3;8-18,34H,6-7,19-20H2,1-5H3.
What are the key properties of 3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole?
3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole has a molecular weight of 2160.59 g/mol, XLogP of 33.27, 24 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-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-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-5-[(2,4-difluorophenyl)methyl]-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-(pyridin-4-ylmethyl)-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole is sourced from PubChem (CID 167604722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).