[3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone

C91H96N20O8 — CID 157244532

IUPAC[3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2cnc(C)cc2-c2ncccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-c2nccn2C)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-c2nccn2C)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncccc2-c2nccn2C)C3)nc1
InChIInChI=1S/2C23H25N5O2.C23H23N5O2.C22H23N5O2/c2*1-14-4-5-20(25-11-14)30-19-10-16-9-18(19)28(13-16)23(29)21-17(8-15(2)12-26-21)22-24-6-7-27(22)3;1-14-4-5-21(27-11-14)30-20-10-16-9-19(20)28(13-16)23(29)18-12-26-15(2)8-17(18)22-24-6-3-7-25-22;1-14-5-6-19(25-12-14)29-18-11-15-10-17(18)27(13-15)22(28)20-16(4-3-7-23-20)21-24-8-9-26(21)2/h2*4-8,11-12,16,18-19H,9-10,13H2,1-3H3;3-8,11-12,16,19-20H,9-10,13H2,1-2H3;3-9,12,15,17-18H,10-11,13H2,1-2H3
InChIKeyAVPFFTKTWRYSRA-UHFFFAOYSA-N
MW1597.90 g/mol
LogP12.45
Rot. Bonds16

About [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone

[3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone (PubChem CID 157244532) has the molecular formula C91H96N20O8 and a molecular weight of 1597.90 g/mol. Its IUPAC name is [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone
PubChem CID157244532
Molecular FormulaC91H96N20O8
Molecular Weight1597.90 g/mol
Exact Mass1596.77
IUPAC Name[3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone
SMILESCc1ccc(OC2CC3CC2N(C(=O)c2cnc(C)cc2-c2ncccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-c2nccn2C)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-c2nccn2C)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncccc2-c2nccn2C)C3)nc1
InChIInChI=1S/2C23H25N5O2.C23H23N5O2.C22H23N5O2/c2*1-14-4-5-20(25-11-14)30-19-10-16-9-18(19)28(13-16)23(29)21-17(8-15(2)12-26-21)22-24-6-7-27(22)3;1-14-4-5-21(27-11-14)30-20-10-16-9-19(20)28(13-16)23(29)18-12-26-15(2)8-17(18)22-24-6-3-7-25-22;1-14-5-6-19(25-12-14)29-18-11-15-10-17(18)27(13-15)22(28)20-16(4-3-7-23-20)21-24-8-9-26(21)2/h2*4-8,11-12,16,18-19H,9-10,13H2,1-3H3;3-8,11-12,16,19-20H,9-10,13H2,1-2H3;3-9,12,15,17-18H,10-11,13H2,1-2H3
InChIKeyAVPFFTKTWRYSRA-UHFFFAOYSA-N
XLogP12.45
TPSA300.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001597.90
LogP ≤ 512.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

US9611277, Example 290
CID 117637807
[2-(1-methylimidazol-2-yl)pyridin-3-yl]-[(1S,4R,6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 117630323
[3-(1-methylimidazol-2-yl)pyridin-2-yl]-[(1S,4R,6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 117630381
(5-methyl-2-pyrimidin-2-ylpyridin-3-yl)-[(1S,4R,6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 117630865
(6-methyl-4-pyrimidin-2-ylpyridin-3-yl)-[(1S,4R,6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 117631353
(6-methyl-2-pyrimidin-2-ylpyridin-3-yl)-[(1S,4R,6R)-6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 117631808
[6-[5-(Difluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]-(6-methyl-2-pyrimidin-2-ylpyridin-3-yl)methanone
CID 117637012
(6-Methyl-2-pyrimidin-2-ylpyridin-3-yl)-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 117637432
[6-[[4-(Fluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(5-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 117637433
(6-Methyl-4-pyrimidin-2-ylpyridin-3-yl)-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 117637629
[2-(1-Methylimidazol-2-yl)pyridin-3-yl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 117637820
[3-(1-Methylimidazol-2-yl)pyridin-2-yl]-[6-[5-(trifluoromethyl)pyridin-2-yl]oxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 117637855

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone?
The IUPAC name of [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone (CID 157244532) is [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone?
The canonical SMILES for [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone is Cc1ccc(OC2CC3CC2N(C(=O)c2cnc(C)cc2-c2ncccn2)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-c2nccn2C)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncc(C)cc2-c2nccn2C)C3)nc1.Cc1ccc(OC2CC3CC2N(C(=O)c2ncccc2-c2nccn2C)C3)nc1.
What is the InChIKey of [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone?
The InChIKey is AVPFFTKTWRYSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N5O2.C23H23N5O2.C22H23N5O2/c2*1-14-4-5-20(25-11-14)30-19-10-16-9-18(19)28(13-16)23(29)21-17(8-15(2)12-26-21)22-24-6-7-27(22)3;1-14-4-5-21(27-11-14)30-20-10-16-9-19(20)28(13-16)23(29)18-12-26-15(2)8-17(18)22-24-6-3-7-25-22;1-14-5-6-19(25-12-14)29-18-11-15-10-17(18)27(13-15)22(28)20-16(4-3-7-23-20)21-24-8-9-26(21)2/h2*4-8,11-12,16,18-19H,9-10,13H2,1-3H3;3-8,11-12,16,19-20H,9-10,13H2,1-2H3;3-9,12,15,17-18H,10-11,13H2,1-2H3.
What are the key properties of [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone?
[3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone has a molecular weight of 1597.90 g/mol, XLogP of 12.45, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-2-pyridinyl)oxy]-2-azabicyclo[2.2.1]heptan-2-yl]methanone;bis([5-methyl-3-(1-methylimidazol-2-yl)-2-pyridinyl]-[6-[(5-methyl-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-4-pyrimidin-2-yl-3-pyridinyl)methanone is sourced from PubChem (CID 157244532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).