[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

C101H98Cl8F12N12O8 — CID 160545730

About [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (PubChem CID 160545730) has the molecular formula C101H98Cl8F12N12O8 and a molecular weight of 2119.57 g/mol. Its IUPAC name is [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

Molecular Properties

• Compound Name: [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• PubChem CID: 160545730
• Molecular Formula: C101H98Cl8F12N12O8
• Molecular Weight: 2119.57 g/mol
• Exact Mass: 2114.49
• IUPAC Name: [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• SMILES: C=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3nn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3cc4cc(C(F)(F)F)cc(C)c4n3)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3nc(C)c4cc(C(F)(F)F)ccc43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ncc4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1
• InChI: InChI=1S/C26H26Cl2F3N3O2.3C25H24Cl2F3N3O2/c1-14-10-17(26(29,30)31)12-22-23(14)21(32-33(22)3)13-19-20(27)5-4-18(24(19)28)25(36)34-8-6-16(7-9-34)11-15(2)35;1-14(34)11-16-7-9-32(10-8-16)24(35)18-4-5-21(26)20(23(18)27)13-33-22-6-3-17(25(28,29)30)12-19(22)15(2)31-33;1-14-9-18(25(28,29)30)11-17-12-33(31-23(14)17)13-20-21(26)4-3-19(22(20)27)24(35)32-7-5-16(6-8-32)10-15(2)34;1-14-9-18(25(28,29)30)11-17-12-31-33(23(14)17)13-20-21(26)4-3-19(22(20)27)24(35)32-7-5-16(6-8-32)10-15(2)34/h4-5,10,12,16,35H,2,6-9,11,13H2,1,3H3;3-6,12,16H,7-11,13H2,1-2H3;2*3-4,9,11-12,16H,5-8,10,13H2,1-2H3
• InChIKey: QXKDCXSWZKDASD-UHFFFAOYSA-N
• XLogP: 26.76
• TPSA: 223.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2119.57
LogP ≤ 5	26.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The IUPAC name of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (CID 160545730) is [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

What is the SMILES notation for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The canonical SMILES for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is C=C(O)CC1CCN(C(=O)c2ccc(Cl)c(Cc3nn(C)c4cc(C(F)(F)F)cc(C)c34)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3cc4cc(C(F)(F)F)cc(C)c4n3)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3nc(C)c4cc(C(F)(F)F)ccc43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3ncc4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1.

What is the InChIKey of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The InChIKey is QXKDCXSWZKDASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2F3N3O2.3C25H24Cl2F3N3O2/c1-14-10-17(26(29,30)31)12-22-23(14)21(32-33(22)3)13-19-20(27)5-4-18(24(19)28)25(36)34-8-6-16(7-9-34)11-15(2)35;1-14(34)11-16-7-9-32(10-8-16)24(35)18-4-5-21(26)20(23(18)27)13-33-22-6-3-17(25(28,29)30)12-19(22)15(2)31-33;1-14-9-18(25(28,29)30)11-17-12-33(31-23(14)17)13-20-21(26)4-3-19(22(20)27)24(35)32-7-5-16(6-8-32)10-15(2)34;1-14-9-18(25(28,29)30)11-17-12-31-33(23(14)17)13-20-21(26)4-3-19(22(20)27)24(35)32-7-5-16(6-8-32)10-15(2)34/h4-5,10,12,16,35H,2,6-9,11,13H2,1,3H3;3-6,12,16H,7-11,13H2,1-2H3;2*3-4,9,11-12,16H,5-8,10,13H2,1-2H3.

What are the key properties of [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one has a molecular weight of 2119.57 g/mol, XLogP of 26.76, 20 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for [2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indazol-3-yl]methyl]phenyl]-[4-(2-hydroxyprop-2-enyl)piperidin-1-yl]methanone;1-[1-[2,4-dichloro-3-[[3-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[7-methyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 160545730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).