(6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

C91H125F3N18O9 — CID 161470867

About (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone

(6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 161470867) has the molecular formula C91H125F3N18O9 and a molecular weight of 1672.11 g/mol. Its IUPAC name is (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
• PubChem CID: 161470867
• Molecular Formula: C91H125F3N18O9
• Molecular Weight: 1672.11 g/mol
• Exact Mass: 1670.98
• IUPAC Name: (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
• SMILES: CC(C)N1CC2CC(C1)N2C(=O)c1ccc(C(F)(F)F)nc1.CCc1ccc(C(=O)N2C3CC2CN(C(C)C)C3)cn1.COc1cccc(C(=O)N2C3CC2CN(C(C)C)C3)n1.COc1ccnc(C(=O)N2C3CC2CN(C(C)C)C3)c1.COc1cncc(C(=O)N2C3CC2CN(C(C)C)C3)c1.Cc1cncc(C(=O)N2C3CC2CN(C(C)C)C3)c1
• InChI: InChI=1S/C16H23N3O.C15H18F3N3O.3C15H21N3O2.C15H21N3O/c1-4-13-6-5-12(8-17-13)16(20)19-14-7-15(19)10-18(9-14)11(2)3;1-9(2)20-7-11-5-12(8-20)21(11)14(22)10-3-4-13(19-6-10)15(16,17)18;1-10(2)17-8-12-5-13(9-17)18(12)15(19)11-4-14(20-3)7-16-6-11;1-10(2)17-8-11-6-12(9-17)18(11)15(19)14-7-13(20-3)4-5-16-14;1-10(2)17-8-11-7-12(9-17)18(11)15(19)13-5-4-6-14(16-13)20-3;1-10(2)17-8-13-5-14(9-17)18(13)15(19)12-4-11(3)6-16-7-12/h5-6,8,11,14-15H,4,7,9-10H2,1-3H3;3-4,6,9,11-12H,5,7-8H2,1-2H3;4,6-7,10,12-13H,5,8-9H2,1-3H3;4-5,7,10-12H,6,8-9H2,1-3H3;4-6,10-12H,7-9H2,1-3H3;4,6-7,10,13-14H,5,8-9H2,1-3H3
• InChIKey: WDBGGIFIXPUSAS-UHFFFAOYSA-N
• XLogP: 10.25
• TPSA: 246.33 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1672.11
LogP ≤ 5	10.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?

The IUPAC name of (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 161470867) is (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone.

What is the SMILES notation for (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?

The canonical SMILES for (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is CC(C)N1CC2CC(C1)N2C(=O)c1ccc(C(F)(F)F)nc1.CCc1ccc(C(=O)N2C3CC2CN(C(C)C)C3)cn1.COc1cccc(C(=O)N2C3CC2CN(C(C)C)C3)n1.COc1ccnc(C(=O)N2C3CC2CN(C(C)C)C3)c1.COc1cncc(C(=O)N2C3CC2CN(C(C)C)C3)c1.Cc1cncc(C(=O)N2C3CC2CN(C(C)C)C3)c1.

What is the InChIKey of (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?

The InChIKey is WDBGGIFIXPUSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.C15H18F3N3O.3C15H21N3O2.C15H21N3O/c1-4-13-6-5-12(8-17-13)16(20)19-14-7-15(19)10-18(9-14)11(2)3;1-9(2)20-7-11-5-12(8-20)21(11)14(22)10-3-4-13(19-6-10)15(16,17)18;1-10(2)17-8-12-5-13(9-17)18(12)15(19)11-4-14(20-3)7-16-6-11;1-10(2)17-8-11-6-12(9-17)18(11)15(19)14-7-13(20-3)4-5-16-14;1-10(2)17-8-11-7-12(9-17)18(11)15(19)13-5-4-6-14(16-13)20-3;1-10(2)17-8-13-5-14(9-17)18(13)15(19)12-4-11(3)6-16-7-12/h5-6,8,11,14-15H,4,7,9-10H2,1-3H3;3-4,6,9,11-12H,5,7-8H2,1-2H3;4,6-7,10,12-13H,5,8-9H2,1-3H3;4-5,7,10-12H,6,8-9H2,1-3H3;4-6,10-12H,7-9H2,1-3H3;4,6-7,10,13-14H,5,8-9H2,1-3H3.

What are the key properties of (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone?

(6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 1672.11 g/mol, XLogP of 10.25, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (6-ethyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(4-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methoxy-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(6-methoxy-2-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(5-methyl-3-pyridinyl)-(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methanone;(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 161470867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).