[3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone

C87H92N22O8 — CID 158631415

IUPAC[3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone
SMILESCc1ccc(N(C)C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.Cc1ccnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c1-n1nccn1.Cc1cnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)c1.O=C(c1nc2ccccc2cc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2
InChIInChI=1S/C24H22N6O2.2C21H22N6O2.C21H26N4O2/c31-24(23-21(30-26-11-12-27-30)14-16-5-1-2-6-19(16)28-23)29-18-8-9-20(29)17(13-18)15-32-22-7-3-4-10-25-22;1-14-7-9-23-19(20(14)27-24-10-11-25-27)21(28)26-16-5-6-17(26)15(12-16)13-29-18-4-2-3-8-22-18;1-14-10-18(27-24-8-9-25-27)20(23-12-14)21(28)26-16-5-6-17(26)15(11-16)13-29-19-4-2-3-7-22-19;1-14-7-9-18(24(2)3)20(23-14)21(26)25-16-8-10-17(25)15(12-16)13-27-19-6-4-5-11-22-19/h1-7,10-12,14,17-18,20H,8-9,13,15H2;2-4,7-11,15-17H,5-6,12-13H2,1H3;2-4,7-10,12,15-17H,5-6,11,13H2,1H3;4-7,9,11,15-17H,8,10,12-13H2,1-3H3
InChIKeyHZFZJWSYDYBPPL-UHFFFAOYSA-N
MW1573.84 g/mol
LogP11.08
Rot. Bonds20

About [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone

[3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone (PubChem CID 158631415) has the molecular formula C87H92N22O8 and a molecular weight of 1573.84 g/mol. Its IUPAC name is [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone
PubChem CID158631415
Molecular FormulaC87H92N22O8
Molecular Weight1573.84 g/mol
Exact Mass1572.75
IUPAC Name[3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone
SMILESCc1ccc(N(C)C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.Cc1ccnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c1-n1nccn1.Cc1cnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)c1.O=C(c1nc2ccccc2cc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2
InChIInChI=1S/C24H22N6O2.2C21H22N6O2.C21H26N4O2/c31-24(23-21(30-26-11-12-27-30)14-16-5-1-2-6-19(16)28-23)29-18-8-9-20(29)17(13-18)15-32-22-7-3-4-10-25-22;1-14-7-9-23-19(20(14)27-24-10-11-25-27)21(28)26-16-5-6-17(26)15(12-16)13-29-18-4-2-3-8-22-18;1-14-10-18(27-24-8-9-25-27)20(23-12-14)21(28)26-16-5-6-17(26)15(11-16)13-29-19-4-2-3-7-22-19;1-14-7-9-18(24(2)3)20(23-14)21(26)25-16-8-10-17(25)15(12-16)13-27-19-6-4-5-11-22-19/h1-7,10-12,14,17-18,20H,8-9,13,15H2;2-4,7-11,15-17H,5-6,12-13H2,1H3;2-4,7-10,12,15-17H,5-6,11,13H2,1H3;4-7,9,11,15-17H,8,10,12-13H2,1-3H3
InChIKeyHZFZJWSYDYBPPL-UHFFFAOYSA-N
XLogP11.08
TPSA316.65 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds20
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.84
LogP ≤ 511.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1S,2R,4R)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411862
(+/-)-(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)(2-(((5-(trifluoromethyl)pyridin-2-yl)oxy)methyl)-7-azabicyclo[2.2.1]heptan-7-yl)methanone
CID 90412395
[2-[(3-Methyl-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 90411121
[6-Methyl-3-(4-methylpyrazol-1-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411590
[6-Methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90411851
[4-Methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90412456
[2-(Pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)-2-pyridinyl]methanone
CID 90412463
[2-(Pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]-[3-(triazol-2-yl)quinolin-2-yl]methanone
CID 90412558
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1R,2R,4S)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 131704332
[5-Methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90413545
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(1R,2S,4S)-2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 90413350
[2-[[5-(1,1-Difluoroethyl)-2-pyridinyl]oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
CID 118880134

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone?
The IUPAC name of [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone (CID 158631415) is [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone?
The canonical SMILES for [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone is Cc1ccc(N(C)C)c(C(=O)N2C3CCC2C(COc2ccccn2)C3)n1.Cc1ccnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c1-n1nccn1.Cc1cnc(C(=O)N2C3CCC2C(COc2ccccn2)C3)c(-n2nccn2)c1.O=C(c1nc2ccccc2cc1-n1nccn1)N1C2CCC1C(COc1ccccn1)C2.
What is the InChIKey of [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone?
The InChIKey is HZFZJWSYDYBPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2.2C21H22N6O2.C21H26N4O2/c31-24(23-21(30-26-11-12-27-30)14-16-5-1-2-6-19(16)28-23)29-18-8-9-20(29)17(13-18)15-32-22-7-3-4-10-25-22;1-14-7-9-23-19(20(14)27-24-10-11-25-27)21(28)26-16-5-6-17(26)15(12-16)13-29-18-4-2-3-8-22-18;1-14-10-18(27-24-8-9-25-27)20(23-12-14)21(28)26-16-5-6-17(26)15(11-16)13-29-19-4-2-3-7-22-19;1-14-7-9-18(24(2)3)20(23-14)21(26)25-16-8-10-17(25)15(12-16)13-27-19-6-4-5-11-22-19/h1-7,10-12,14,17-18,20H,8-9,13,15H2;2-4,7-11,15-17H,5-6,12-13H2,1H3;2-4,7-10,12,15-17H,5-6,11,13H2,1H3;4-7,9,11,15-17H,8,10,12-13H2,1-3H3.
What are the key properties of [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone?
[3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone has a molecular weight of 1573.84 g/mol, XLogP of 11.08, 20 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-6-methyl-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[4-methyl-3-(triazol-2-yl)-2-pyridinyl]-[2-(pyridin-2-yloxymethyl)-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[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)quinolin-2-yl]methanone is sourced from PubChem (CID 158631415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).