2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone

C110H122Cl2F8N12O7 — CID 158087128

About 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone

2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 158087128) has the molecular formula C110H122Cl2F8N12O7 and a molecular weight of 1947.15 g/mol. Its IUPAC name is 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

• Compound Name: 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone
• PubChem CID: 158087128
• Molecular Formula: C110H122Cl2F8N12O7
• Molecular Weight: 1947.15 g/mol
• Exact Mass: 1944.88
• IUPAC Name: 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone
• SMILES: C=C(c1c(C)ncc(C(=O)N2CCC(C3CCC3)CC2)c1C)c1cc2c(C)cc(C#N)cc2n1C.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1F.CC(=O)CC1CCN(C(=O)c2cnc(C)c(Cc3cc4c(C)cc(C(C)(F)F)cc4n3C)c2C)CC1.Cc1ncc(C(=O)N2CCOCC2)c(C)c1Cc1cc2c(C)cc(C(C)(F)F)cc2n1C
• InChI: InChI=1S/C30H34N4O.C29H35F2N3O2.C26H24Cl2F4N2O2.C25H29F2N3O2/c1-18-13-22(16-31)14-28-25(18)15-27(33(28)5)20(3)29-19(2)26(17-32-21(29)4)30(35)34-11-9-24(10-12-34)23-7-6-8-23;1-17-11-22(29(5,30)31)13-27-24(17)14-23(33(27)6)15-25-19(3)26(16-32-20(25)4)28(36)34-9-7-21(8-10-34)12-18(2)35;1-13-8-15(26(30,31)32)9-23-19(13)10-16(33(23)3)11-20-21(27)5-4-18(24(20)28)25(36)34-7-6-17(14(2)35)22(29)12-34;1-15-10-18(25(4,26)27)11-23-20(15)12-19(29(23)5)13-21-16(2)22(14-28-17(21)3)24(31)30-6-8-32-9-7-30/h13-15,17,23-24H,3,6-12H2,1-2,4-5H3;11,13-14,16,21H,7-10,12,15H2,1-6H3;4-5,8-10,17,22H,6-7,11-12H2,1-3H3;10-12,14H,6-9,13H2,1-5H3
• InChIKey: FNQMAKFTBPRBHJ-UHFFFAOYSA-N
• XLogP: 23.58
• TPSA: 206.79 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1947.15
LogP ≤ 5	23.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone?

The IUPAC name of 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone (CID 158087128) is 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone.

What is the SMILES notation for 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone?

The canonical SMILES for 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone is C=C(c1c(C)ncc(C(=O)N2CCC(C3CCC3)CC2)c1C)c1cc2c(C)cc(C#N)cc2n1C.CC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cc3cc4c(C)cc(C(F)(F)F)cc4n3C)c2Cl)CC1F.CC(=O)CC1CCN(C(=O)c2cnc(C)c(Cc3cc4c(C)cc(C(C)(F)F)cc4n3C)c2C)CC1.Cc1ncc(C(=O)N2CCOCC2)c(C)c1Cc1cc2c(C)cc(C(C)(F)F)cc2n1C.

What is the InChIKey of 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone?

The InChIKey is FNQMAKFTBPRBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O.C29H35F2N3O2.C26H24Cl2F4N2O2.C25H29F2N3O2/c1-18-13-22(16-31)14-28-25(18)15-27(33(28)5)20(3)29-19(2)26(17-32-21(29)4)30(35)34-11-9-24(10-12-34)23-7-6-8-23;1-17-11-22(29(5,30)31)13-27-24(17)14-23(33(27)6)15-25-19(3)26(16-32-20(25)4)28(36)34-9-7-21(8-10-34)12-18(2)35;1-13-8-15(26(30,31)32)9-23-19(13)10-16(33(23)3)11-20-21(27)5-4-18(24(20)28)25(36)34-7-6-17(14(2)35)22(29)12-34;1-15-10-18(25(4,26)27)11-23-20(15)12-19(29(23)5)13-21-16(2)22(14-28-17(21)3)24(31)30-6-8-32-9-7-30/h13-15,17,23-24H,3,6-12H2,1-2,4-5H3;11,13-14,16,21H,7-10,12,15H2,1-6H3;4-5,8-10,17,22H,6-7,11-12H2,1-3H3;10-12,14H,6-9,13H2,1-5H3.

What are the key properties of 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone?

2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 1947.15 g/mol, XLogP of 23.58, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[5-(4-cyclobutylpiperidine-1-carbonyl)-2,4-dimethyl-3-pyridinyl]ethenyl]-1,4-dimethylindole-6-carbonitrile;1-[1-[2,4-dichloro-3-[[1,4-dimethyl-6-(trifluoromethyl)indol-2-yl]methyl]benzoyl]-3-fluoropiperidin-4-yl]ethanone;1-[1-[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethylpyridine-3-carbonyl]piperidin-4-yl]propan-2-one;[5-[[6-(1,1-difluoroethyl)-1,4-dimethylindol-2-yl]methyl]-4,6-dimethyl-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158087128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).