3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole

C132H148ClF7N14O — CID 167681715

IUPAC3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)cc3c1C=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(C(=O)C(C)(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(CC(C)(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C(Cl)=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C
InChIInChI=1S/C35H35ClF3N3.C35H35F4N3.C31H38N4O.C31H40N4/c1-6-22-10-8-11-23(7-2)31(22)42-32(27-13-9-12-24-15-17-29(36)30(24)27)28-20-41(34(4,5)33(28)40-42)19-25-14-16-26(18-21(25)3)35(37,38)39;1-6-22-10-8-11-23(7-2)31(22)42-32(29-18-27(36)17-24-12-9-13-28(24)29)30-20-41(34(4,5)33(30)40-42)19-25-14-15-26(16-21(25)3)35(37,38)39;1-9-20-12-11-13-21(10-2)26(20)35-27(23-15-14-19(3)25-22(23)16-17-32-25)24-18-34(29(36)30(4,5)6)31(7,8)28(24)33-35;1-9-21-12-11-13-22(10-2)27(21)35-28(24-15-14-20(3)26-23(24)16-17-32-26)25-18-34(19-30(4,5)6)31(7,8)29(25)33-35/h8-14,16-18H,6-7,15,19-20H2,1-5H3;8-11,13-18H,6-7,12,19-20H2,1-5H3;11-17,32H,9-10,18H2,1-8H3;11-17,32H,9-10,18-19H2,1-8H3
InChIKeyVQGPAQDBZJHAIP-UHFFFAOYSA-N
MW2115.17 g/mol
LogP32.96
Rot. Bonds21

About 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole

3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole (PubChem CID 167681715) has the molecular formula C132H148ClF7N14O and a molecular weight of 2115.17 g/mol. Its IUPAC name is 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole.

Molecular Properties

Compound Name3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
PubChem CID167681715
Molecular FormulaC132H148ClF7N14O
Molecular Weight2115.17 g/mol
Exact Mass2113.15
IUPAC Name3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)cc3c1C=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(C(=O)C(C)(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(CC(C)(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C(Cl)=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C
InChIInChI=1S/C35H35ClF3N3.C35H35F4N3.C31H38N4O.C31H40N4/c1-6-22-10-8-11-23(7-2)31(22)42-32(27-13-9-12-24-15-17-29(36)30(24)27)28-20-41(34(4,5)33(28)40-42)19-25-14-16-26(18-21(25)3)35(37,38)39;1-6-22-10-8-11-23(7-2)31(22)42-32(29-18-27(36)17-24-12-9-13-28(24)29)30-20-41(34(4,5)33(30)40-42)19-25-14-15-26(16-21(25)3)35(37,38)39;1-9-20-12-11-13-21(10-2)26(20)35-27(23-15-14-19(3)25-22(23)16-17-32-25)24-18-34(29(36)30(4,5)6)31(7,8)28(24)33-35;1-9-21-12-11-13-22(10-2)27(21)35-28(24-15-14-20(3)26-23(24)16-17-32-26)25-18-34(19-30(4,5)6)31(7,8)29(25)33-35/h8-14,16-18H,6-7,15,19-20H2,1-5H3;8-11,13-18H,6-7,12,19-20H2,1-5H3;11-17,32H,9-10,18H2,1-8H3;11-17,32H,9-10,18-19H2,1-8H3
InChIKeyVQGPAQDBZJHAIP-UHFFFAOYSA-N
XLogP32.96
TPSA132.89 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms155
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002115.17
LogP ≤ 532.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?
The IUPAC name of 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole (CID 167681715) is 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole.
What is the SMILES notation for 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?
The canonical SMILES for 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole is CCc1cccc(CC)c1-n1nc2c(c1-c1cc(F)cc3c1C=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(C(=O)C(C)(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(C)c3[nH]ccc13)CN(CC(C)(C)C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1cccc3c1C(Cl)=CC3)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.
What is the InChIKey of 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?
The InChIKey is VQGPAQDBZJHAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClF3N3.C35H35F4N3.C31H38N4O.C31H40N4/c1-6-22-10-8-11-23(7-2)31(22)42-32(27-13-9-12-24-15-17-29(36)30(24)27)28-20-41(34(4,5)33(28)40-42)19-25-14-16-26(18-21(25)3)35(37,38)39;1-6-22-10-8-11-23(7-2)31(22)42-32(29-18-27(36)17-24-12-9-13-28(24)29)30-20-41(34(4,5)33(30)40-42)19-25-14-15-26(16-21(25)3)35(37,38)39;1-9-20-12-11-13-21(10-2)26(20)35-27(23-15-14-19(3)25-22(23)16-17-32-25)24-18-34(29(36)30(4,5)6)31(7,8)28(24)33-35;1-9-21-12-11-13-22(10-2)27(21)35-28(24-15-14-20(3)26-23(24)16-17-32-26)25-18-34(19-30(4,5)6)31(7,8)29(25)33-35/h8-14,16-18H,6-7,15,19-20H2,1-5H3;8-11,13-18H,6-7,12,19-20H2,1-5H3;11-17,32H,9-10,18H2,1-8H3;11-17,32H,9-10,18-19H2,1-8H3.
What are the key properties of 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole?
3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole has a molecular weight of 2115.17 g/mol, XLogP of 32.96, 21 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1H-inden-4-yl)-2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole;1-[2-(2,6-diethylphenyl)-6,6-dimethyl-3-(7-methyl-1H-indol-4-yl)-4H-pyrrolo[3,4-c]pyrazol-5-yl]-2,2-dimethylpropan-1-one;4-[2-(2,6-diethylphenyl)-5-(2,2-dimethylpropyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-methyl-1H-indole;2-(2,6-diethylphenyl)-3-(6-fluoro-1H-inden-4-yl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazole is sourced from PubChem (CID 167681715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).