1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine

C40H33N13O — CID 160684884

IUPAC1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2nc[nH]c2cn1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1
InChIInChI=1S/C8H6O.2C7H6N2.3C6H5N3/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5(3-1)7-9-8-6/h1-6H;2*1-5H,(H,8,9);1-4H,(H,8,9);2*1-4H,(H,7,8,9)
InChIKeyROPYSZZFYKTTGO-UHFFFAOYSA-N
MW711.79 g/mol
LogP8.43
Rot. Bonds

About 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine

1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine (PubChem CID 160684884) has the molecular formula C40H33N13O and a molecular weight of 711.79 g/mol. Its IUPAC name is 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine
PubChem CID160684884
Molecular FormulaC40H33N13O
Molecular Weight711.79 g/mol
Exact Mass711.29
IUPAC Name1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine
SMILESc1cc2nc[nH]c2cn1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1
InChIInChI=1S/C8H6O.2C7H6N2.3C6H5N3/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5(3-1)7-9-8-6/h1-6H;2*1-5H,(H,8,9);1-4H,(H,8,9);2*1-4H,(H,7,8,9)
InChIKeyROPYSZZFYKTTGO-UHFFFAOYSA-N
XLogP8.43
TPSA195.21 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.79
LogP ≤ 58.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136944955
N-[5-[3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide
CID 136214374
N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136506881
5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137039220
5-[3-[7-(furan-3-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137041960
5-[3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137054976
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine
CID 137109855
N-[5-[3-[4-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137488832
Indazole-benzimidazole, 25
CID 135928491
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 136227832
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136495687
N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136937793

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine (CID 160684884) is 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine is c1cc2nc[nH]c2cn1.c1ccc2[nH]ncc2c1.c1ccc2n[nH]nc2c1.c1ccc2occc2c1.c1cnc2[nH]ccc2c1.c1cnc2nc[nH]c2c1.
What is the InChIKey of 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ROPYSZZFYKTTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O.2C7H6N2.3C6H5N3/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-7-3-6-5(1)8-4-9-6;1-2-5-6(7-3-1)9-4-8-5;1-2-4-6-5(3-1)7-9-8-6/h1-6H;2*1-5H,(H,8,9);1-4H,(H,8,9);2*1-4H,(H,7,8,9).
What are the key properties of 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine?
1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine has a molecular weight of 711.79 g/mol, XLogP of 8.43, 0 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran;2H-benzotriazole;1H-imidazo[4,5-b]pyridine;3H-imidazo[4,5-c]pyridine;1H-indazole;1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 160684884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).