(4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

C102H103Cl8F11N12O7 — CID 159842657

About (4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one

(4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (PubChem CID 159842657) has the molecular formula C102H103Cl8F11N12O7 and a molecular weight of 2101.62 g/mol. Its IUPAC name is (4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

Molecular Properties

• Compound Name: (4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• PubChem CID: 159842657
• Molecular Formula: C102H103Cl8F11N12O7
• Molecular Weight: 2101.62 g/mol
• Exact Mass: 2096.54
• IUPAC Name: (4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one
• SMILES: CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3nc(C)c4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3nc4c(C)cc(C(F)(F)F)cc4c3C)c2Cl)CC1.Cc1cc(C(C)(F)F)cc2c(C)n(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)nc12.Cc1nn(Cc2c(Cl)ccc(C(=O)N3CCC(C4CCC4)CC3)c2Cl)c2c(C)cc(C(F)(F)F)cc12
• InChI: InChI=1S/C27H28Cl2F3N3O.2C26H26Cl2F3N3O2.C23H23Cl2F2N3O2/c1-15-12-19(27(30,31)32)13-21-16(2)33-35(25(15)21)14-22-23(28)7-6-20(24(22)29)26(36)34-10-8-18(9-11-34)17-4-3-5-17;1-14-10-18(26(29,30)31)12-20-16(3)34(32-24(14)20)13-21-22(27)5-4-19(23(21)28)25(36)33-8-6-17(7-9-33)11-15(2)35;1-14-10-18(26(29,30)31)12-20-16(3)32-34(24(14)20)13-21-22(27)5-4-19(23(21)28)25(36)33-8-6-17(7-9-33)11-15(2)35;1-13-10-15(23(3,26)27)11-17-14(2)30(28-21(13)17)12-18-19(24)5-4-16(20(18)25)22(31)29-6-8-32-9-7-29/h6-7,12-13,17-18H,3-5,8-11,14H2,1-2H3;2*4-5,10,12,17H,6-9,11,13H2,1-3H3;4-5,10-11H,6-9,12H2,1-3H3
• InChIKey: NOWMCXMEAYADPD-UHFFFAOYSA-N
• XLogP: 26.99
• TPSA: 195.89 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.62
LogP ≤ 5	26.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of (4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one (CID 159842657) is (4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one.

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

The canonical SMILES for (4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3nc(C)c4cc(C(F)(F)F)cc(C)c43)c2Cl)CC1.CC(=O)CC1CCN(C(=O)c2ccc(Cl)c(Cn3nc4c(C)cc(C(F)(F)F)cc4c3C)c2Cl)CC1.Cc1cc(C(C)(F)F)cc2c(C)n(Cc3c(Cl)ccc(C(=O)N4CCOCC4)c3Cl)nc12.Cc1nn(Cc2c(Cl)ccc(C(=O)N3CCC(C4CCC4)CC3)c2Cl)c2c(C)cc(C(F)(F)F)cc12.

What is the InChIKey of (4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one?

The InChIKey is NOWMCXMEAYADPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2F3N3O.2C26H26Cl2F3N3O2.C23H23Cl2F2N3O2/c1-15-12-19(27(30,31)32)13-21-16(2)33-35(25(15)21)14-22-23(28)7-6-20(24(22)29)26(36)34-10-8-18(9-11-34)17-4-3-5-17;1-14-10-18(26(29,30)31)12-20-16(3)34(32-24(14)20)13-21-22(27)5-4-19(23(21)28)25(36)33-8-6-17(7-9-33)11-15(2)35;1-14-10-18(26(29,30)31)12-20-16(3)32-34(24(14)20)13-21-22(27)5-4-19(23(21)28)25(36)33-8-6-17(7-9-33)11-15(2)35;1-13-10-15(23(3,26)27)11-17-14(2)30(28-21(13)17)12-18-19(24)5-4-16(20(18)25)22(31)29-6-8-32-9-7-29/h6-7,12-13,17-18H,3-5,8-11,14H2,1-2H3;2*4-5,10,12,17H,6-9,11,13H2,1-3H3;4-5,10-11H,6-9,12H2,1-3H3.

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

(4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one has a molecular weight of 2101.62 g/mol, XLogP of 26.99, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclobutylpiperidin-1-yl)-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]phenyl]methanone;[2,4-dichloro-3-[[5-(1,1-difluoroethyl)-3,7-dimethylindazol-2-yl]methyl]phenyl]-morpholin-4-ylmethanone;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-1-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one;1-[1-[2,4-dichloro-3-[[3,7-dimethyl-5-(trifluoromethyl)indazol-2-yl]methyl]benzoyl]piperidin-4-yl]propan-2-one is sourced from PubChem (CID 159842657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).