2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine

C136H203F7N16O9S2 — CID 157333860

About 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine

2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine (PubChem CID 157333860) has the molecular formula C136H203F7N16O9S2 and a molecular weight of 2403.34 g/mol. Its IUPAC name is 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine.

Molecular Properties

• Compound Name: 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
• PubChem CID: 157333860
• Molecular Formula: C136H203F7N16O9S2
• Molecular Weight: 2403.34 g/mol
• Exact Mass: 2401.52
• IUPAC Name: 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
• SMILES: CC(=O)N1CCC(Nc2cncc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Oc2cncc(C(C)(C)C)c2)CC1.CC(C)(C)C1=Cc2c(F)cccc2C1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1ccnc(CC2CCOC2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cncc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cncc(CC2COC2)c1
• InChI: InChI=1S/C17H25F3N2.C16H23F3N2.C16H25N3O.C16H26N2O2S.C16H24N2O2.C15H25N3O2S.C14H21NO.C13H15F.C13H19NO/c1-16(2,3)15-9-14(10-21-11-15)8-13-4-6-22(7-5-13)12-17(18,19)20;1-15(2,3)14-7-13(8-20-9-14)6-12-4-5-21(10-12)11-16(17,18)19;1-12(20)19-7-5-14(6-8-19)18-15-9-13(10-17-11-15)16(2,3)4;1-16(2,3)15-10-14(11-17-12-15)9-13-5-7-18(8-6-13)21(4,19)20;1-12(19)18-7-5-14(6-8-18)20-15-9-13(10-17-11-15)16(2,3)4;1-15(2,3)14-10-13(16-11-17-14)9-12-5-7-18(8-6-12)21(4,19)20;1-14(2,3)12-4-6-15-13(9-12)8-11-5-7-16-10-11;1-13(2,3)10-7-9-5-4-6-12(14)11(9)8-10;1-13(2,3)12-5-10(6-14-7-12)4-11-8-15-9-11/h9-11,13H,4-8,12H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;9-11,14,18H,5-8H2,1-4H3;10-13H,5-9H2,1-4H3;9-11,14H,5-8H2,1-4H3;10-12H,5-9H2,1-4H3;4,6,9,11H,5,7-8,10H2,1-3H3;4-6,8H,7H2,1-3H3;5-7,11H,4,8-9H2,1-3H3
• InChIKey: BFPIUQKYDBJYSW-UHFFFAOYSA-N
• XLogP: 27.49
• TPSA: 277.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2403.34
LogP ≤ 5	27.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?

The IUPAC name of 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine (CID 157333860) is 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine.

What is the SMILES notation for 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?

The canonical SMILES for 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine is CC(=O)N1CCC(Nc2cncc(C(C)(C)C)c2)CC1.CC(=O)N1CCC(Oc2cncc(C(C)(C)C)c2)CC1.CC(C)(C)C1=Cc2c(F)cccc2C1.CC(C)(C)c1cc(CC2CCN(S(C)(=O)=O)CC2)ncn1.CC(C)(C)c1ccnc(CC2CCOC2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)C2)c1.CC(C)(C)c1cncc(CC2CCN(CC(F)(F)F)CC2)c1.CC(C)(C)c1cncc(CC2CCN(S(C)(=O)=O)CC2)c1.CC(C)(C)c1cncc(CC2COC2)c1.

What is the InChIKey of 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?

The InChIKey is BFPIUQKYDBJYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2.C16H23F3N2.C16H25N3O.C16H26N2O2S.C16H24N2O2.C15H25N3O2S.C14H21NO.C13H15F.C13H19NO/c1-16(2,3)15-9-14(10-21-11-15)8-13-4-6-22(7-5-13)12-17(18,19)20;1-15(2,3)14-7-13(8-20-9-14)6-12-4-5-21(10-12)11-16(17,18)19;1-12(20)19-7-5-14(6-8-19)18-15-9-13(10-17-11-15)16(2,3)4;1-16(2,3)15-10-14(11-17-12-15)9-13-5-7-18(8-6-13)21(4,19)20;1-12(19)18-7-5-14(6-8-18)20-15-9-13(10-17-11-15)16(2,3)4;1-15(2,3)14-10-13(16-11-17-14)9-12-5-7-18(8-6-12)21(4,19)20;1-14(2,3)12-4-6-15-13(9-12)8-11-5-7-16-10-11;1-13(2,3)10-7-9-5-4-6-12(14)11(9)8-10;1-13(2,3)12-5-10(6-14-7-12)4-11-8-15-9-11/h9-11,13H,4-8,12H2,1-3H3;7-9,12H,4-6,10-11H2,1-3H3;9-11,14,18H,5-8H2,1-4H3;10-13H,5-9H2,1-4H3;9-11,14H,5-8H2,1-4H3;10-12H,5-9H2,1-4H3;4,6,9,11H,5,7-8,10H2,1-3H3;4-6,8H,7H2,1-3H3;5-7,11H,4,8-9H2,1-3H3.

What are the key properties of 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine?

2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine has a molecular weight of 2403.34 g/mol, XLogP of 27.49, 20 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-fluoro-1H-indene;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-6-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine is sourced from PubChem (CID 157333860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).