[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

C96H102N18O10 — CID 158291567

IUPAC[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2nc(C)no2)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncccc2C)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncccn2)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncco2)nc1
InChIInChI=1S/C26H28N4O2.C24H25N5O2.C23H25N5O3.C23H24N4O3/c1-16-6-11-23(28-14-16)32-15-19-13-20-8-10-22(19)30(20)26(31)25-21(9-7-18(3)29-25)24-17(2)5-4-12-27-24;1-15-4-9-21(27-13-15)31-14-17-12-18-6-8-20(17)29(18)24(30)22-19(7-5-16(2)28-22)23-25-10-3-11-26-23;1-13-4-9-20(24-11-13)30-12-16-10-17-6-8-19(16)28(17)23(29)21-18(7-5-14(2)25-21)22-26-15(3)27-31-22;1-14-3-8-20(25-12-14)30-13-16-11-17-5-7-19(16)27(17)23(28)21-18(6-4-15(2)26-21)22-24-9-10-29-22/h4-7,9,11-12,14,19-20,22H,8,10,13,15H2,1-3H3;3-5,7,9-11,13,17-18,20H,6,8,12,14H2,1-2H3;4-5,7,9,11,16-17,19H,6,8,10,12H2,1-3H3;3-4,6,8-10,12,16-17,19H,5,7,11,13H2,1-2H3
InChIKeyGLKNPRDRZNDTRJ-UHFFFAOYSA-N
MW1667.99 g/mol
LogP15.50
Rot. Bonds20

About [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 158291567) has the molecular formula C96H102N18O10 and a molecular weight of 1667.99 g/mol. Its IUPAC name is [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
PubChem CID158291567
Molecular FormulaC96H102N18O10
Molecular Weight1667.99 g/mol
Exact Mass1666.80
IUPAC Name[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2nc(C)no2)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncccc2C)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncccn2)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncco2)nc1
InChIInChI=1S/C26H28N4O2.C24H25N5O2.C23H25N5O3.C23H24N4O3/c1-16-6-11-23(28-14-16)32-15-19-13-20-8-10-22(19)30(20)26(31)25-21(9-7-18(3)29-25)24-17(2)5-4-12-27-24;1-15-4-9-21(27-13-15)31-14-17-12-18-6-8-20(17)29(18)24(30)22-19(7-5-16(2)28-22)23-25-10-3-11-26-23;1-13-4-9-20(24-11-13)30-12-16-10-17-6-8-19(16)28(17)23(29)21-18(7-5-14(2)25-21)22-26-15(3)27-31-22;1-14-3-8-20(25-12-14)30-13-16-11-17-5-7-19(16)27(17)23(28)21-18(6-4-15(2)26-21)22-24-9-10-29-22/h4-7,9,11-12,14,19-20,22H,8,10,13,15H2,1-3H3;3-5,7,9-11,13,17-18,20H,6,8,12,14H2,1-2H3;4-5,7,9,11,16-17,19H,6,8,10,12H2,1-3H3;3-4,6,8-10,12,16-17,19H,5,7,11,13H2,1-2H3
InChIKeyGLKNPRDRZNDTRJ-UHFFFAOYSA-N
XLogP15.50
TPSA324.90 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms124
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001667.99
LogP ≤ 515.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The IUPAC name of [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 158291567) is [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2nc(C)no2)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncccc2C)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncccn2)nc1.Cc1ccc(OCC2CC3CCC2N3C(=O)c2nc(C)ccc2-c2ncco2)nc1.
What is the InChIKey of [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The InChIKey is GLKNPRDRZNDTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2.C24H25N5O2.C23H25N5O3.C23H24N4O3/c1-16-6-11-23(28-14-16)32-15-19-13-20-8-10-22(19)30(20)26(31)25-21(9-7-18(3)29-25)24-17(2)5-4-12-27-24;1-15-4-9-21(27-13-15)31-14-17-12-18-6-8-20(17)29(18)24(30)22-19(7-5-16(2)28-22)23-25-10-3-11-26-23;1-13-4-9-20(24-11-13)30-12-16-10-17-6-8-19(16)28(17)23(29)21-18(7-5-14(2)25-21)22-26-15(3)27-31-22;1-14-3-8-20(25-12-14)30-13-16-11-17-5-7-19(16)27(17)23(28)21-18(6-4-15(2)26-21)22-24-9-10-29-22/h4-7,9,11-12,14,19-20,22H,8,10,13,15H2,1-3H3;3-5,7,9-11,13,17-18,20H,6,8,12,14H2,1-2H3;4-5,7,9,11,16-17,19H,6,8,10,12H2,1-3H3;3-4,6,8-10,12,16-17,19H,5,7,11,13H2,1-2H3.
What are the key properties of [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
[6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 1667.99 g/mol, XLogP of 15.50, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[6-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]-[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[2-[(5-methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 158291567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).