(6-methoxypyridazin-3-yl)-(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

C89H122F3N19O10 — CID 159212353

IUPAC(6-methoxypyridazin-3-yl)-(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
SMILESCC(C)N1CC2CC(C1)N2C(=O)c1ccc(C(F)(F)F)nc1.COc1ccc(C(=O)N2C3CC2CN(C(C)C)C3)nn1.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
InChIInChI=1S/C15H18F3N3O.3C15H21N3O2.C15H21N3O.C14H20N4O2/c1-9(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;1-9(2)17-7-10-6-11(8-17)18(10)14(19)12-4-5-13(20-3)16-15-12/h3-4,6,9,11-12H,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;4-5,9-11H,6-8H2,1-3H3
InChIKeyKQQNOXOIYHXYQC-UHFFFAOYSA-N
MW1675.07 g/mol
LogP9.09
Rot. Bonds16

About (6-methoxypyridazin-3-yl)-(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-methoxypyridazin-3-yl)-(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 159212353) has the molecular formula C89H122F3N19O10 and a molecular weight of 1675.07 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(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-methoxypyridazin-3-yl)-(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 CID159212353
Molecular FormulaC89H122F3N19O10
Molecular Weight1675.07 g/mol
Exact Mass1673.96
IUPAC Name(6-methoxypyridazin-3-yl)-(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
SMILESCC(C)N1CC2CC(C1)N2C(=O)c1ccc(C(F)(F)F)nc1.COc1ccc(C(=O)N2C3CC2CN(C(C)C)C3)nn1.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
InChIInChI=1S/C15H18F3N3O.3C15H21N3O2.C15H21N3O.C14H20N4O2/c1-9(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;1-9(2)17-7-10-6-11(8-17)18(10)14(19)12-4-5-13(20-3)16-15-12/h3-4,6,9,11-12H,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;4-5,9-11H,6-8H2,1-3H3
InChIKeyKQQNOXOIYHXYQC-UHFFFAOYSA-N
XLogP9.09
TPSA268.45 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001675.07
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze (6-methoxypyridazin-3-yl)-(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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-methoxypyridazin-3-yl)-(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-methoxypyridazin-3-yl)-(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 159212353) is (6-methoxypyridazin-3-yl)-(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-methoxypyridazin-3-yl)-(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-methoxypyridazin-3-yl)-(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.COc1ccc(C(=O)N2C3CC2CN(C(C)C)C3)nn1.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-methoxypyridazin-3-yl)-(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 KQQNOXOIYHXYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O.3C15H21N3O2.C15H21N3O.C14H20N4O2/c1-9(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;1-9(2)17-7-10-6-11(8-17)18(10)14(19)12-4-5-13(20-3)16-15-12/h3-4,6,9,11-12H,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;4-5,9-11H,6-8H2,1-3H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(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-methoxypyridazin-3-yl)-(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 1675.07 g/mol, XLogP of 9.09, 16 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-(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 159212353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).