1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine

C70H67N17O2 — CID 159930097

IUPAC1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2cccc(C)c2[nH]1.Cc1cccc2[nH]c(=O)[nH]c12.Cc1cccc2[nH]cnc12.Cc1cccc2cc[nH]c12.Cc1cccc2cn[nH]c12.Cc1cccc2n[nH]nc12.c1ccc2oncc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1
InChIInChI=1S/C10H11N.C9H9N.C8H8N2O.2C8H8N2.C7H7N3.C7H6N2.C7H5NO.C6H5N3/c1-7-4-3-5-9-6-8(2)11-10(7)9;1-7-3-2-4-8-5-6-10-9(7)8;1-5-3-2-4-6-7(5)10-8(11)9-6;1-6-3-2-4-7-8(6)10-5-9-7;1-6-3-2-4-7-5-9-10-8(6)7;1-5-3-2-4-6-7(5)9-10-8-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-5-4-8-9-6(5)7-3-1/h3-6,11H,1-2H3;2-6,10H,1H3;2-4H,1H3,(H2,9,10,11);2*2-5H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);1-5H,(H,8,9);1-5H;1-4H,(H,7,8,9)
InChIKeyNZNJTLJQHSVRFF-UHFFFAOYSA-N
MW1178.42 g/mol
LogP15.78
Rot. Bonds

About 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine

1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine (PubChem CID 159930097) has the molecular formula C70H67N17O2 and a molecular weight of 1178.42 g/mol. Its IUPAC name is 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine
PubChem CID159930097
Molecular FormulaC70H67N17O2
Molecular Weight1178.42 g/mol
Exact Mass1177.57
IUPAC Name1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine
SMILESCc1cc2cccc(C)c2[nH]1.Cc1cccc2[nH]c(=O)[nH]c12.Cc1cccc2[nH]cnc12.Cc1cccc2cc[nH]c12.Cc1cccc2cn[nH]c12.Cc1cccc2n[nH]nc12.c1ccc2oncc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1
InChIInChI=1S/C10H11N.C9H9N.C8H8N2O.2C8H8N2.C7H7N3.C7H6N2.C7H5NO.C6H5N3/c1-7-4-3-5-9-6-8(2)11-10(7)9;1-7-3-2-4-8-5-6-10-9(7)8;1-5-3-2-4-6-7(5)10-8(11)9-6;1-6-3-2-4-7-8(6)10-5-9-7;1-6-3-2-4-7-5-9-10-8(6)7;1-5-3-2-4-6-7(5)9-10-8-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-5-4-8-9-6(5)7-3-1/h3-6,11H,1-2H3;2-6,10H,1H3;2-4H,1H3,(H2,9,10,11);2*2-5H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);1-5H,(H,8,9);1-5H;1-4H,(H,7,8,9)
InChIKeyNZNJTLJQHSVRFF-UHFFFAOYSA-N
XLogP15.78
TPSA275.44 Ų
H-Bond Donors9
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001178.42
LogP ≤ 515.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1010

Analyze 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

US20240025884, Example 444
CID 170673079
4-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-5-methyl-1H-pyridin-2-one;5-[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-6-methyl-1H-pyridin-2-one;4-[2-cyclopropyl-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methylbenzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[1-methyl-7-(6-methylquinolin-5-yl)-2-(trifluoromethyl)benzimidazol-5-yl]-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-2-(oxetan-3-yl)-3H-benzimidazol-5-yl]-1,2-oxazole
CID 157623528
3-(1,1-difluoro-2,2-dimethylpropyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoro-2,2-dimethylpropyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[(4-ethylpiperidin-1-yl)methyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine;N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-3-(2,4,4-trimethylpentyl)-1,2-benzoxazol-6-amine
CID 157662930
4-[2-(2,2-difluorocyclopropyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(difluoromethyl)-7-(3,5-dimethyl-1H-pyrazol-4-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[7-(6-methylquinolin-5-yl)-3H-benzimidazol-5-yl]-1,2-oxazole;4-[7-(1,4-dimethylpyrazol-5-yl)-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
CID 158143448
N,N-dimethyl-3-[[6-methyl-7-(2-pyrazolo[1,5-a]pyrimidin-3-ylethynyl)-1,2-benzoxazol-3-yl]methyl]aniline;7-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-6-methyl-3-[[3-(3-methylpyrrol-1-yl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-6-methyl-3-[[3-methyl-5-(piperidin-1-ylmethyl)phenyl]methyl]-1,2-benzoxazole
CID 158210941
3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(2-pyrrolidin-1-ylethyl)-1,2-benzoxazol-6-amine
CID 158313099
(E)-2-(2-aminopyrimidin-5-yl)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enamide;(E)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-(2-fluoro-3-pyridinyl)prop-2-enamide;(E)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-2-(1H-indazol-6-yl)prop-2-enamide
CID 158765100
3-[2-[(3,3-difluorocyclobutyl)amino]prop-2-enyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(1,1-difluoropentyl)-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-(5,5-dimethylhexan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-[1-(6-methylidene-1H-pyridin-3-yl)ethyl]-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 158926049
7-[2-(2H-benzotriazol-5-yl)ethynyl]-6-methyl-3-[[3-methyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-benzoxazole;7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-3-[[3-(piperidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]methyl]-1,2-benzoxazole;6-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]methyl]-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;6-methyl-3-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159047536
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-indazol-2-ium-6-ylethynyl)-6-methyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole
CID 159297897
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159630690
6-fluoro-N-(6-methyl-3-pyridinyl)-1,2-benzoxazol-3-amine;7-fluoro-N-(6-methyl-3-pyridinyl)-1,2-benzoxazol-3-amine;6-fluoro-N-(6-methyl-3-pyridinyl)-1H-indazol-3-amine;7-fluoro-N-(6-methyl-3-pyridinyl)-1H-indazol-3-amine;7-fluoro-N-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-indazol-3-amine;N-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-1,2-benzoxazol-3-amine;N-(6-methyl-3-pyridinyl)-7-(trifluoromethyl)-1,2-benzoxazol-3-amine;N-(6-methyl-3-pyridinyl)-6-(trifluoromethyl)-1H-indazol-3-amine
CID 160874523

Frequently Asked Questions

What is the IUPAC name of 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine (CID 159930097) is 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine is Cc1cc2cccc(C)c2[nH]1.Cc1cccc2[nH]c(=O)[nH]c12.Cc1cccc2[nH]cnc12.Cc1cccc2cc[nH]c12.Cc1cccc2cn[nH]c12.Cc1cccc2n[nH]nc12.c1ccc2oncc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.
What is the InChIKey of 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NZNJTLJQHSVRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C9H9N.C8H8N2O.2C8H8N2.C7H7N3.C7H6N2.C7H5NO.C6H5N3/c1-7-4-3-5-9-6-8(2)11-10(7)9;1-7-3-2-4-8-5-6-10-9(7)8;1-5-3-2-4-6-7(5)10-8(11)9-6;1-6-3-2-4-7-8(6)10-5-9-7;1-6-3-2-4-7-5-9-10-8(6)7;1-5-3-2-4-6-7(5)9-10-8-6;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-5-4-8-9-6(5)7-3-1/h3-6,11H,1-2H3;2-6,10H,1H3;2-4H,1H3,(H2,9,10,11);2*2-5H,1H3,(H,9,10);2-4H,1H3,(H,8,9,10);1-5H,(H,8,9);1-5H;1-4H,(H,7,8,9).
What are the key properties of 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine?
1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1178.42 g/mol, XLogP of 15.78, 0 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-benzoxazole;2,7-dimethyl-1H-indole;4-methyl-1H-benzimidazole;4-methyl-2H-benzotriazole;4-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1H-indazole;7-methyl-1H-indole;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159930097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).