1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine

C75H60N16S2 — CID 158094702

IUPAC1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine
SMILESc1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2ncccc2c1.c1cnc2sccc2c1
InChIInChI=1S/2C9H7N.C8H6N2.C8H7N.3C7H6N2.2C7H5NS.C6H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-5-4-8-9-6(5)7-3-1/h2*1-7H;1-6H;1-6,9H;1-5H,(H,8,9);1-6H;1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9)
InChIKeyFONIYHFEJFZTBB-UHFFFAOYSA-N
MW1249.55 g/mol
LogP18.28
Rot. Bonds

About 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine

1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine (PubChem CID 158094702) has the molecular formula C75H60N16S2 and a molecular weight of 1249.55 g/mol. Its IUPAC name is 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine.

Molecular Properties

Compound Name1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine
PubChem CID158094702
Molecular FormulaC75H60N16S2
Molecular Weight1249.55 g/mol
Exact Mass1248.46
IUPAC Name1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine
SMILESc1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2ncccc2c1.c1cnc2sccc2c1
InChIInChI=1S/2C9H7N.C8H6N2.C8H7N.3C7H6N2.2C7H5NS.C6H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-5-4-8-9-6(5)7-3-1/h2*1-7H;1-6H;1-6,9H;1-5H,(H,8,9);1-6H;1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9)
InChIKeyFONIYHFEJFZTBB-UHFFFAOYSA-N
XLogP18.28
TPSA209.36 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001249.55
LogP ≤ 518.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine?
The IUPAC name of 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine (CID 158094702) is 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine.
What is the SMILES notation for 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine?
The canonical SMILES for 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine is c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2ncccc2c1.c1cnc2sccc2c1.
What is the InChIKey of 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine?
The InChIKey is FONIYHFEJFZTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.C8H6N2.C8H7N.3C7H6N2.2C7H5NS.C6H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(7)9-5-1;1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-5-4-8-9-6(5)7-3-1/h2*1-7H;1-6H;1-6,9H;1-5H,(H,8,9);1-6H;1-5H,(H,8,9);2*1-5H;1-4H,(H,7,8,9).
What are the key properties of 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine?
1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine has a molecular weight of 1249.55 g/mol, XLogP of 18.28, 0 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole;imidazo[1,2-a]pyridine;1H-indazole;1H-indole;isoquinoline;1,8-naphthyridine;1H-pyrazolo[5,4-b]pyridine;1H-pyrrolo[2,3-b]pyridine;quinoline;thieno[2,3-b]pyridine is sourced from PubChem (CID 158094702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).