[2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

C93H85F6N17O8 — CID 161416660

IUPAC[2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2cccc(C)c2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-c2ncccn2)C3)nc1.Cc1cccc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)n1.O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3cc(C(F)(F)F)ccn3)C1C2
InChIInChI=1S/C24H23FN4O2.C23H18F4N4O2.C23H21FN4O2.C23H23N5O2/c1-14-6-7-21(26-10-14)31-20-9-16-8-19(20)29(13-16)24(30)18-5-3-4-15(2)22(18)23-27-11-17(25)12-28-23;24-16-4-1-3-15(20(16)21-29-6-2-7-30-21)22(32)31-12-13-9-17(31)18(10-13)33-19-11-14(5-8-28-19)23(25,26)27;1-14-5-2-8-20(27-14)30-19-12-15-11-18(19)28(13-15)23(29)16-6-3-7-17(24)21(16)22-25-9-4-10-26-22;1-14-4-7-20(26-12-14)30-19-11-16-10-18(19)28(13-16)23(29)21-17(6-5-15(2)27-21)22-24-8-3-9-25-22/h3-7,10-12,16,19-20H,8-9,13H2,1-2H3;1-8,11,13,17-18H,9-10,12H2;2-10,15,18-19H,11-13H2,1H3;3-9,12,16,18-19H,10-11,13H2,1-2H3
InChIKeyVWECHKWNDKRBFU-UHFFFAOYSA-N
MW1682.80 g/mol
LogP15.26
Rot. Bonds16

About [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone

[2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (PubChem CID 161416660) has the molecular formula C93H85F6N17O8 and a molecular weight of 1682.80 g/mol. Its IUPAC name is [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
PubChem CID161416660
Molecular FormulaC93H85F6N17O8
Molecular Weight1682.80 g/mol
Exact Mass1681.67
IUPAC Name[2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2cccc(C)c2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-c2ncccn2)C3)nc1.Cc1cccc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)n1.O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3cc(C(F)(F)F)ccn3)C1C2
InChIInChI=1S/C24H23FN4O2.C23H18F4N4O2.C23H21FN4O2.C23H23N5O2/c1-14-6-7-21(26-10-14)31-20-9-16-8-19(20)29(13-16)24(30)18-5-3-4-15(2)22(18)23-27-11-17(25)12-28-23;24-16-4-1-3-15(20(16)21-29-6-2-7-30-21)22(32)31-12-13-9-17(31)18(10-13)33-19-11-14(5-8-28-19)23(25,26)27;1-14-5-2-8-20(27-14)30-19-12-15-11-18(19)28(13-15)23(29)16-6-3-7-17(24)21(16)22-25-9-4-10-26-22;1-14-4-7-20(26-12-14)30-19-11-16-10-18(19)28(13-16)23(29)21-17(6-5-15(2)27-21)22-24-8-3-9-25-22/h3-7,10-12,16,19-20H,8-9,13H2,1-2H3;1-8,11,13,17-18H,9-10,12H2;2-10,15,18-19H,11-13H2,1H3;3-9,12,16,18-19H,10-11,13H2,1-2H3
InChIKeyVWECHKWNDKRBFU-UHFFFAOYSA-N
XLogP15.26
TPSA285.73 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001682.80
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone with MolForge

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Related Compounds

US9611277, Example 94
CID 117637397
US9611277, Example 91
CID 117637607
US9611277, Example 92
CID 117637695
US9611262, Example 17A
CID 118939453
US9611262, Example 14
CID 118939472
US9611262, Example 18A
CID 118939510
US9611262, Example 16A
CID 118939515
US9611262, Example 1
CID 118939587
US9611262, Example 20A
CID 118939592
US9611262, Example 19A
CID 118939602
US9611262, Example 212
CID 118939666
US9611262, Example 35
CID 118939716

Frequently Asked Questions

What is the IUPAC name of [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The IUPAC name of [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone (CID 161416660) is [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone.
What is the SMILES notation for [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The canonical SMILES for [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2cccc(C)c2-c2ncc(F)cn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2nc(C)ccc2-c2ncccn2)C3)nc1.Cc1cccc(OC2CC3CC2N(C(=O)c2cccc(F)c2-c2ncccn2)C3)n1.O=C(c1cccc(F)c1-c1ncccn1)N1CC2CC(Oc3cc(C(F)(F)F)ccn3)C1C2.
What is the InChIKey of [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
The InChIKey is VWECHKWNDKRBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2.C23H18F4N4O2.C23H21FN4O2.C23H23N5O2/c1-14-6-7-21(26-10-14)31-20-9-16-8-19(20)29(13-16)24(30)18-5-3-4-15(2)22(18)23-27-11-17(25)12-28-23;24-16-4-1-3-15(20(16)21-29-6-2-7-30-21)22(32)31-12-13-9-17(31)18(10-13)33-19-11-14(5-8-28-19)23(25,26)27;1-14-5-2-8-20(27-14)30-19-12-15-11-18(19)28(13-15)23(29)16-6-3-7-17(24)21(16)22-25-9-4-10-26-22;1-14-4-7-20(26-12-14)30-19-11-16-10-18(19)28(13-16)23(29)21-17(6-5-15(2)27-21)22-24-8-3-9-25-22/h3-7,10-12,16,19-20H,8-9,13H2,1-2H3;1-8,11,13,17-18H,9-10,12H2;2-10,15,18-19H,11-13H2,1H3;3-9,12,16,18-19H,10-11,13H2,1-2H3.
What are the key properties of [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone?
[2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone has a molecular weight of 1682.80 g/mol, XLogP of 15.26, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-fluoropyrimidin-2-yl)-3-methylphenyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[(6-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[6-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone is sourced from PubChem (CID 161416660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).