1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene

C85H80N16O3 — CID 160702902

IUPAC1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene
SMILESCc1cc(-c2c(-c3cccc(C)n3)nc3n2C2CCC3C2)ccn1.Cc1cccc(-c2nc3n(c2-c2ccc(=O)n(C)c2)C2CCC3C2)n1.Cc1cccc(-c2nc3n(c2-c2ccnc(-c4ccc(C(=O)O)cc4)c2)C2CCC3C2)n1.Cc1cccc(-c2nc3n(c2-c2ccncc2)C2CCC3C2)n1
InChIInChI=1S/C26H22N4O2.C20H20N4O.C20H20N4.C19H18N4/c1-15-3-2-4-21(28-15)23-24(30-20-10-9-19(13-20)25(30)29-23)18-11-12-27-22(14-18)16-5-7-17(8-6-16)26(31)32;1-12-4-3-5-16(21-12)18-19(14-7-9-17(25)23(2)11-14)24-15-8-6-13(10-15)20(24)22-18;1-12-4-3-5-17(22-12)18-19(14-8-9-21-13(2)10-14)24-16-7-6-15(11-16)20(24)23-18;1-12-3-2-4-16(21-12)17-18(13-7-9-20-10-8-13)23-15-6-5-14(11-15)19(23)22-17/h2-8,11-12,14,19-20H,9-10,13H2,1H3,(H,31,32);3-5,7,9,11,13,15H,6,8,10H2,1-2H3;3-5,8-10,15-16H,6-7,11H2,1-2H3;2-4,7-10,14-15H,5-6,11H2,1H3
InChIKeyRQVSOJGXPFOUOP-UHFFFAOYSA-N
MW1373.68 g/mol
LogP17.53
Rot. Bonds10

About 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene

1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene (PubChem CID 160702902) has the molecular formula C85H80N16O3 and a molecular weight of 1373.68 g/mol. Its IUPAC name is 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene.

Molecular Properties

Compound Name1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene
PubChem CID160702902
Molecular FormulaC85H80N16O3
Molecular Weight1373.68 g/mol
Exact Mass1372.66
IUPAC Name1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene
SMILESCc1cc(-c2c(-c3cccc(C)n3)nc3n2C2CCC3C2)ccn1.Cc1cccc(-c2nc3n(c2-c2ccc(=O)n(C)c2)C2CCC3C2)n1.Cc1cccc(-c2nc3n(c2-c2ccnc(-c4ccc(C(=O)O)cc4)c2)C2CCC3C2)n1.Cc1cccc(-c2nc3n(c2-c2ccncc2)C2CCC3C2)n1
InChIInChI=1S/C26H22N4O2.C20H20N4O.C20H20N4.C19H18N4/c1-15-3-2-4-21(28-15)23-24(30-20-10-9-19(13-20)25(30)29-23)18-11-12-27-22(14-18)16-5-7-17(8-6-16)26(31)32;1-12-4-3-5-16(21-12)18-19(14-7-9-17(25)23(2)11-14)24-15-8-6-13(10-15)20(24)22-18;1-12-4-3-5-17(22-12)18-19(14-8-9-21-13(2)10-14)24-16-7-6-15(11-16)20(24)23-18;1-12-3-2-4-16(21-12)17-18(13-7-9-20-10-8-13)23-15-6-5-14(11-15)19(23)22-17/h2-8,11-12,14,19-20H,9-10,13H2,1H3,(H,31,32);3-5,7,9,11,13,15H,6,8,10H2,1-2H3;3-5,8-10,15-16H,6-7,11H2,1-2H3;2-4,7-10,14-15H,5-6,11H2,1H3
InChIKeyRQVSOJGXPFOUOP-UHFFFAOYSA-N
XLogP17.53
TPSA220.81 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001373.68
LogP ≤ 517.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene with MolForge

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Launch Full Analysis

Related Compounds

US10906905, Example 19
CID 134439596
6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]-4-[(1-methylcyclohexyl)methyl]pyridine-2-carboxylic acid;5-[(1-ethylcyclopentyl)methyl]-4-[2-[5-[(1-ethylcyclopentyl)methyl]-1-methyl-2-phenylimidazol-4-yl]propan-2-yl]-1-methyl-2-phenylimidazole;4-[1-(1-methylcyclopentyl)ethyl]-2-(3-methyl-5H-pyrazol-5-id-1-yl)pyridine;4-[1-(1-methylcyclopentyl)ethyl]-2-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]pyridine;2-[2-[1-methyl-5-[(1-methylcyclohexyl)methyl]-2-phenylimidazol-4-yl]propan-2-yl]-6-phenylpyridine;platinum;tris(platinum(2+))
CID 160485770
Bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
CID 59141260
2-(4-Carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;2-imidazol-3-id-2-ylimidazol-3-ide;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
CID 59141264
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
CID 59551805
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate;2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);bis(ruthenium(1+))
CID 59551809
4-[4-[4-(6-Methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid
CID 134439600
Ethane;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid
CID 142321826
ethane;2-imidazol-3-id-2-ylimidazol-3-ide;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;[(1Z,3Z)-5-pyridin-2-ylpenta-1,3-dienyl]azanide;2-pyridin-2-ylpyridine;2-pyridin-2-ylpyridine-4-carboxylic acid;ruthenium(1+);ruthenium(2+)
CID 143848489
2-(Benzimidazol-1-id-2-yl)benzimidazol-1-ide;bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);bis(2-pyridin-2-ylpyridine);bis(ruthenium(1+))
CID 144252347
4-[4-[4-[6-[2-[4-[4-[4-(6-Methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoyl]oxyethyl]-2-pyridinyl]-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid
CID 146389789
3-Bromo-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;2,4-dibromopyridine;(4-methoxycarbonylphenyl)boronic acid;[2-(4-methoxycarbonylphenyl)-4-pyridinyl]boronic acid;methyl 4-(4-bromo-2-pyridinyl)benzoate;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzamide
CID 157302100

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene?
The IUPAC name of 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene (CID 160702902) is 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene.
What is the SMILES notation for 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene?
The canonical SMILES for 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene is Cc1cc(-c2c(-c3cccc(C)n3)nc3n2C2CCC3C2)ccn1.Cc1cccc(-c2nc3n(c2-c2ccc(=O)n(C)c2)C2CCC3C2)n1.Cc1cccc(-c2nc3n(c2-c2ccnc(-c4ccc(C(=O)O)cc4)c2)C2CCC3C2)n1.Cc1cccc(-c2nc3n(c2-c2ccncc2)C2CCC3C2)n1.
What is the InChIKey of 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene?
The InChIKey is RQVSOJGXPFOUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2.C20H20N4O.C20H20N4.C19H18N4/c1-15-3-2-4-21(28-15)23-24(30-20-10-9-19(13-20)25(30)29-23)18-11-12-27-22(14-18)16-5-7-17(8-6-16)26(31)32;1-12-4-3-5-16(21-12)18-19(14-7-9-17(25)23(2)11-14)24-15-8-6-13(10-15)20(24)22-18;1-12-4-3-5-17(22-12)18-19(14-8-9-21-13(2)10-14)24-16-7-6-15(11-16)20(24)23-18;1-12-3-2-4-16(21-12)17-18(13-7-9-20-10-8-13)23-15-6-5-14(11-15)19(23)22-17/h2-8,11-12,14,19-20H,9-10,13H2,1H3,(H,31,32);3-5,7,9,11,13,15H,6,8,10H2,1-2H3;3-5,8-10,15-16H,6-7,11H2,1-2H3;2-4,7-10,14-15H,5-6,11H2,1H3.
What are the key properties of 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene?
1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene has a molecular weight of 1373.68 g/mol, XLogP of 17.53, 10 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-one;4-[4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]-2-pyridinyl]benzoic acid;3-(2-methyl-4-pyridinyl)-4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene;4-(6-methyl-2-pyridinyl)-3-pyridin-4-yl-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-diene is sourced from PubChem (CID 160702902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).