(2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone

C93H95N15O9S — CID 158742921

IUPAC(2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2.Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.Cc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)s1.O=C(c1ncccc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2
InChIInChI=1S/C25H26N4O2.C25H26N2O3.C23H23N3O2S.C20H20N6O2/c1-16-6-5-13-27-23(16)20-10-8-17(2)28-24(20)25(30)29-19-9-11-21(29)18(14-19)15-31-22-7-3-4-12-26-22;1-2-29-22-13-10-17-7-3-4-8-20(17)24(22)25(28)27-19-11-12-21(27)18(15-19)16-30-23-9-5-6-14-26-23;1-15-25-21(22(29-15)16-7-3-2-4-8-16)23(27)26-18-10-11-19(26)17(13-18)14-28-20-9-5-6-12-24-20;27-20(19-17(4-3-9-22-19)26-23-10-11-24-26)25-15-6-7-16(25)14(12-15)13-28-18-5-1-2-8-21-18/h3-8,10,12-13,18-19,21H,9,11,14-15H2,1-2H3;3-10,13-14,18-19,21H,2,11-12,15-16H2,1H3;2-9,12,17-19H,10-11,13-14H2,1H3;1-5,8-11,14-16H,6-7,12-13H2
InChIKeyIMNHBLNUGUSOEG-UHFFFAOYSA-N
MW1598.95 g/mol
LogP15.65
Rot. Bonds21

About (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone

(2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone (PubChem CID 158742921) has the molecular formula C93H95N15O9S and a molecular weight of 1598.95 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
PubChem CID158742921
Molecular FormulaC93H95N15O9S
Molecular Weight1598.95 g/mol
Exact Mass1597.72
IUPAC Name(2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2.Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.Cc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)s1.O=C(c1ncccc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2
InChIInChI=1S/C25H26N4O2.C25H26N2O3.C23H23N3O2S.C20H20N6O2/c1-16-6-5-13-27-23(16)20-10-8-17(2)28-24(20)25(30)29-19-9-11-21(29)18(14-19)15-31-22-7-3-4-12-26-22;1-2-29-22-13-10-17-7-3-4-8-20(17)24(22)25(28)27-19-11-12-21(27)18(15-19)16-30-23-9-5-6-14-26-23;1-15-25-21(22(29-15)16-7-3-2-4-8-16)23(27)26-18-10-11-19(26)17(13-18)14-28-20-9-5-6-12-24-20;27-20(19-17(4-3-9-22-19)26-23-10-11-24-26)25-15-6-7-16(25)14(12-15)13-28-18-5-1-2-8-21-18/h3-8,10,12-13,18-19,21H,9,11,14-15H2,1-2H3;3-10,13-14,18-19,21H,2,11-12,15-16H2,1H3;2-9,12,17-19H,10-11,13-14H2,1H3;1-5,8-11,14-16H,6-7,12-13H2
InChIKeyIMNHBLNUGUSOEG-UHFFFAOYSA-N
XLogP15.65
TPSA261.22 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001598.95
LogP ≤ 515.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone (CID 158742921) is (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone is CCOc1ccc2ccccc2c1C(=O)N1C2CCC1C(COc1ccccn1)C2.Cc1ccc(-c2ncccc2C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.Cc1nc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-c2ccccc2)s1.O=C(c1ncccc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
The InChIKey is IMNHBLNUGUSOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2.C25H26N2O3.C23H23N3O2S.C20H20N6O2/c1-16-6-5-13-27-23(16)20-10-8-17(2)28-24(20)25(30)29-19-9-11-21(29)18(14-19)15-31-22-7-3-4-12-26-22;1-2-29-22-13-10-17-7-3-4-8-20(17)24(22)25(28)27-19-11-12-21(27)18(15-19)16-30-23-9-5-6-14-26-23;1-15-25-21(22(29-15)16-7-3-2-4-8-16)23(27)26-18-10-11-19(26)17(13-18)14-28-20-9-5-6-12-24-20;27-20(19-17(4-3-9-22-19)26-23-10-11-24-26)25-15-6-7-16(25)14(12-15)13-28-18-5-1-2-8-21-18/h3-8,10,12-13,18-19,21H,9,11,14-15H2,1-2H3;3-10,13-14,18-19,21H,2,11-12,15-16H2,1H3;2-9,12,17-19H,10-11,13-14H2,1H3;1-5,8-11,14-16H,6-7,12-13H2.
What are the key properties of (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone?
(2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone has a molecular weight of 1598.95 g/mol, XLogP of 15.65, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 158742921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).