(3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C89H95FN18O9 — CID 158281256

IUPAC(3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(C)cn1)C2.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccccc2C)C3)n1.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(COc1ccccn1)C2
InChIInChI=1S/C23H21FN4O2.C23H25N5O2.C22H27N3O3.C21H22N6O2/c24-18-6-3-5-17(21(18)22-26-11-4-12-27-22)23(29)28-16-8-9-19(28)15(13-16)14-30-20-7-1-2-10-25-20;1-15-5-3-4-6-21(15)30-14-17-13-18-8-10-19(17)27(18)23(29)22-20(9-7-16(2)26-22)28-24-11-12-25-28;1-4-27-19-9-6-15(3)24-21(19)22(26)25-17-7-8-18(25)16(11-17)13-28-20-10-5-14(2)12-23-20;1-14-5-7-18(27-23-10-11-24-27)20(25-14)21(28)26-16-6-8-17(26)15(12-16)13-29-19-4-2-3-9-22-19/h1-7,10-12,15-16,19H,8-9,13-14H2;3-7,9,11-12,17-19H,8,10,13-14H2,1-2H3;5-6,9-10,12,16-18H,4,7-8,11,13H2,1-3H3;2-5,7,9-11,15-17H,6,8,12-13H2,1H3
InChIKeyGKFVHZAEWBMTMD-UHFFFAOYSA-N
MW1579.85 g/mol
LogP13.10
Rot. Bonds21

About (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone

(3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 158281256) has the molecular formula C89H95FN18O9 and a molecular weight of 1579.85 g/mol. Its IUPAC name is (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name(3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID158281256
Molecular FormulaC89H95FN18O9
Molecular Weight1579.85 g/mol
Exact Mass1578.75
IUPAC Name(3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(C)cn1)C2.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccccc2C)C3)n1.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(COc1ccccn1)C2
InChIInChI=1S/C23H21FN4O2.C23H25N5O2.C22H27N3O3.C21H22N6O2/c24-18-6-3-5-17(21(18)22-26-11-4-12-27-22)23(29)28-16-8-9-19(28)15(13-16)14-30-20-7-1-2-10-25-20;1-15-5-3-4-6-21(15)30-14-17-13-18-8-10-19(17)27(18)23(29)22-20(9-7-16(2)26-22)28-24-11-12-25-28;1-4-27-19-9-6-15(3)24-21(19)22(26)25-17-7-8-18(25)16(11-17)13-28-20-10-5-14(2)12-23-20;1-14-5-7-18(27-23-10-11-24-27)20(25-14)21(28)26-16-6-8-17(26)15(12-16)13-29-19-4-2-3-9-22-19/h1-7,10-12,15-16,19H,8-9,13-14H2;3-7,9,11-12,17-19H,8,10,13-14H2,1-2H3;5-6,9-10,12,16-18H,4,7-8,11,13H2,1-3H3;2-5,7,9-11,15-17H,6,8,12-13H2,1H3
InChIKeyGKFVHZAEWBMTMD-UHFFFAOYSA-N
XLogP13.10
TPSA291.93 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001579.85
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 158281256) is (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is CCOc1ccc(C)nc1C(=O)N1C2CCC1C(COc1ccc(C)cn1)C2.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccccc2C)C3)n1.Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.O=C(c1cccc(F)c1-c1ncccn1)N1C2CCC1C(COc1ccccn1)C2.
What is the InChIKey of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is GKFVHZAEWBMTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2.C23H25N5O2.C22H27N3O3.C21H22N6O2/c24-18-6-3-5-17(21(18)22-26-11-4-12-27-22)23(29)28-16-8-9-19(28)15(13-16)14-30-20-7-1-2-10-25-20;1-15-5-3-4-6-21(15)30-14-17-13-18-8-10-19(17)27(18)23(29)22-20(9-7-16(2)26-22)28-24-11-12-25-28;1-4-27-19-9-6-15(3)24-21(19)22(26)25-17-7-8-18(25)16(11-17)13-28-20-10-5-14(2)12-23-20;1-14-5-7-18(27-23-10-11-24-27)20(25-14)21(28)26-16-6-8-17(26)15(12-16)13-29-19-4-2-3-9-22-19/h1-7,10-12,15-16,19H,8-9,13-14H2;3-7,9,11-12,17-19H,8,10,13-14H2,1-2H3;5-6,9-10,12,16-18H,4,7-8,11,13H2,1-3H3;2-5,7,9-11,15-17H,6,8,12-13H2,1H3.
What are the key properties of (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
(3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1579.85 g/mol, XLogP of 13.10, 21 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-6-methyl-2-pyridinyl)-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(2-methylphenoxy)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 158281256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).