2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline

C113H87N19O3 — CID 159180584

IUPAC2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline
SMILESCc1cccc(-c2cccnc2-c2ccc3c(c2)C=NC3)n1.Cc1cccc(-c2cccnc2-c2ccc3c(c2)NC(=O)C3)n1.Cc1cccc(-c2cccnc2-c2ccc3c(c2)OCO3)n1.Cc1cccc(-c2cccnc2-c2ccc3cnccc3c2)n1.Cc1cccc(-c2cccnc2-c2ccc3nc[nH]c3c2)n1.Cc1cccc(-c2cccnc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C20H15N3.C19H14N4.C19H15N3O.C19H15N3.C18H14N4.C18H14N2O2/c1-14-4-2-6-19(23-14)18-5-3-10-22-20(18)16-7-8-17-13-21-11-9-15(17)12-16;1-13-4-2-6-16(23-13)15-5-3-9-22-19(15)14-7-8-17-18(12-14)21-11-10-20-17;1-12-4-2-6-16(21-12)15-5-3-9-20-19(15)14-8-7-13-11-18(23)22-17(13)10-14;1-13-4-2-6-18(22-13)17-5-3-9-21-19(17)14-7-8-15-11-20-12-16(15)10-14;1-12-4-2-6-15(22-12)14-5-3-9-19-18(14)13-7-8-16-17(10-13)21-11-20-16;1-12-4-2-6-15(20-12)14-5-3-9-19-18(14)13-7-8-16-17(10-13)22-11-21-16/h2-13H,1H3;2-12H,1H3;2-10H,11H2,1H3,(H,22,23);2-10,12H,11H2,1H3;2-11H,1H3,(H,20,21);2-10H,11H2,1H3
InChIKeyKMVIWCDBRIEWQN-UHFFFAOYSA-N
MW1759.07 g/mol
LogP24.24
Rot. Bonds12

About 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline

2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline (PubChem CID 159180584) has the molecular formula C113H87N19O3 and a molecular weight of 1759.07 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline
PubChem CID159180584
Molecular FormulaC113H87N19O3
Molecular Weight1759.07 g/mol
Exact Mass1757.72
IUPAC Name2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline
SMILESCc1cccc(-c2cccnc2-c2ccc3c(c2)C=NC3)n1.Cc1cccc(-c2cccnc2-c2ccc3c(c2)NC(=O)C3)n1.Cc1cccc(-c2cccnc2-c2ccc3c(c2)OCO3)n1.Cc1cccc(-c2cccnc2-c2ccc3cnccc3c2)n1.Cc1cccc(-c2cccnc2-c2ccc3nc[nH]c3c2)n1.Cc1cccc(-c2cccnc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C20H15N3.C19H14N4.C19H15N3O.C19H15N3.C18H14N4.C18H14N2O2/c1-14-4-2-6-19(23-14)18-5-3-10-22-20(18)16-7-8-17-13-21-11-9-15(17)12-16;1-13-4-2-6-16(23-13)15-5-3-9-22-19(15)14-7-8-17-18(12-14)21-11-10-20-17;1-12-4-2-6-16(21-12)15-5-3-9-20-19(15)14-8-7-13-11-18(23)22-17(13)10-14;1-13-4-2-6-18(22-13)17-5-3-9-21-19(17)14-7-8-15-11-20-12-16(15)10-14;1-12-4-2-6-15(22-12)14-5-3-9-19-18(14)13-7-8-16-17(10-13)21-11-20-16;1-12-4-2-6-15(20-12)14-5-3-9-19-18(14)13-7-8-16-17(10-13)22-11-21-16/h2-13H,1H3;2-12H,1H3;2-10H,11H2,1H3,(H,22,23);2-10,12H,11H2,1H3;2-11H,1H3,(H,20,21);2-10H,11H2,1H3
InChIKeyKMVIWCDBRIEWQN-UHFFFAOYSA-N
XLogP24.24
TPSA281.95 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001759.07
LogP ≤ 524.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Analyze 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline with MolForge

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Related Compounds

(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-[(3R)-1-[2-(1H-imidazol-2-yl)ethyl]pyrrolidin-3-yl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 44280722
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-(3-imidazol-1-ylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 10163036
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 24956906
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 101336504
2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;3,3-dimethyl-5-propan-2-yl-2H-isoindol-1-one;3,3-dimethyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)isoindol-1-one;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;3-methyl-6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;molecular hydrogen;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-2,3-dihydroisoindol-1-one;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one;1-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethanone;1-(4-propan-2-ylpiperidin-1-yl)ethanone;2,3,3-trimethyl-5-propan-2-ylisoindol-1-one
CID 157430738
2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
CID 159080391
5,7-dimethyl-1H-indole;6-methyl-1H-benzimidazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,3-dihydroindol-2-one;6-methylquinoline;6-methyl-1,2,3,4-tetrahydroquinoline;5-methyl-3-(trifluoromethyl)-2H-indazole
CID 160697140
(2R,8R)-2-(1,3-benzodioxol-5-yl)-6-[2-(1H-imidazol-5-yl)ethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 10140026
3H-benzimidazol-5-yl-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 10181477
3-(3H-benzimidazol-5-yl)-1-[1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propan-1-one
CID 21022411
N-[4-(1H-imidazol-2-ylcarbamoyl)-1H-benzimidazol-2-yl]-[1,3]dioxolo[4,5-g]isoquinoline-7-carboxamide
CID 58026441
9-(3H-benzimidazol-5-yl)-24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
CID 58064852

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline (CID 159180584) is 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline is Cc1cccc(-c2cccnc2-c2ccc3c(c2)C=NC3)n1.Cc1cccc(-c2cccnc2-c2ccc3c(c2)NC(=O)C3)n1.Cc1cccc(-c2cccnc2-c2ccc3c(c2)OCO3)n1.Cc1cccc(-c2cccnc2-c2ccc3cnccc3c2)n1.Cc1cccc(-c2cccnc2-c2ccc3nc[nH]c3c2)n1.Cc1cccc(-c2cccnc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline?
The InChIKey is KMVIWCDBRIEWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3.C19H14N4.C19H15N3O.C19H15N3.C18H14N4.C18H14N2O2/c1-14-4-2-6-19(23-14)18-5-3-10-22-20(18)16-7-8-17-13-21-11-9-15(17)12-16;1-13-4-2-6-16(23-13)15-5-3-9-22-19(15)14-7-8-17-18(12-14)21-11-10-20-17;1-12-4-2-6-16(21-12)15-5-3-9-20-19(15)14-8-7-13-11-18(23)22-17(13)10-14;1-13-4-2-6-18(22-13)17-5-3-9-21-19(17)14-7-8-15-11-20-12-16(15)10-14;1-12-4-2-6-15(22-12)14-5-3-9-19-18(14)13-7-8-16-17(10-13)21-11-20-16;1-12-4-2-6-15(20-12)14-5-3-9-19-18(14)13-7-8-16-17(10-13)22-11-21-16/h2-13H,1H3;2-12H,1H3;2-10H,11H2,1H3,(H,22,23);2-10,12H,11H2,1H3;2-11H,1H3,(H,20,21);2-10H,11H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline?
2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline has a molecular weight of 1759.07 g/mol, XLogP of 24.24, 12 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-pyridinyl)pyridine;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-benzimidazole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1,3-dihydroindol-2-one;5-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]-1H-isoindole;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]isoquinoline;6-[3-(6-methyl-2-pyridinyl)-2-pyridinyl]quinoxaline is sourced from PubChem (CID 159180584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).