bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine

C95H76N26OS4 — CID 167547428

IUPACbis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine
SMILESC1=Nc2ncccc2C1.c1cc2scnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cn[nH]c2c1.c1cnc2ncsc2c1
InChIInChI=1S/C8H7N.6C7H6N2.C7H5NO.2C7H5NS.2C6H5N3.2C6H4N2S/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;4*1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1;1-2-7-3-5-6(1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5/h1-6,9H;1-2,4-5H,3H2;2*1-6H;3*1-5H,(H,8,9);3*1-5H;1-4H,(H,8,9);1-4H,(H,7,8,9);2*1-4H
InChIKeyBYWCOAKJZQFNJZ-UHFFFAOYSA-N
MW1726.10 g/mol
LogP22.58
Rot. Bonds

About bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine

bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine (PubChem CID 167547428) has the molecular formula C95H76N26OS4 and a molecular weight of 1726.10 g/mol. Its IUPAC name is bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine.

Molecular Properties

Compound Namebis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine
PubChem CID167547428
Molecular FormulaC95H76N26OS4
Molecular Weight1726.10 g/mol
Exact Mass1724.56
IUPAC Namebis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine
SMILESC1=Nc2ncccc2C1.c1cc2scnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cn[nH]c2c1.c1cnc2ncsc2c1
InChIInChI=1S/C8H7N.6C7H6N2.C7H5NO.2C7H5NS.2C6H5N3.2C6H4N2S/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;4*1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1;1-2-7-3-5-6(1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5/h1-6,9H;1-2,4-5H,3H2;2*1-6H;3*1-5H,(H,8,9);3*1-5H;1-4H,(H,8,9);1-4H,(H,7,8,9);2*1-4H
InChIKeyBYWCOAKJZQFNJZ-UHFFFAOYSA-N
XLogP22.58
TPSA348.19 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001726.10
LogP ≤ 522.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine?
The IUPAC name of bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine (CID 167547428) is bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine.
What is the SMILES notation for bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine?
The canonical SMILES for bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine is C1=Nc2ncccc2C1.c1cc2scnc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cn[nH]c2c1.c1cnc2ncsc2c1.
What is the InChIKey of bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine?
The InChIKey is BYWCOAKJZQFNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.6C7H6N2.C7H5NO.2C7H5NS.2C6H5N3.2C6H4N2S/c1-2-4-8-7(3-1)5-6-9-8;1-2-6-3-5-9-7(6)8-4-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;4*1-2-4-7-6(3-1)5-8-9-7;2*1-2-4-7-6(3-1)8-5-9-7;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1;1-2-7-3-5-6(1)9-4-8-5;1-2-5-6(7-3-1)8-4-9-5/h1-6,9H;1-2,4-5H,3H2;2*1-6H;3*1-5H,(H,8,9);3*1-5H;1-4H,(H,8,9);1-4H,(H,7,8,9);2*1-4H.
What are the key properties of bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine?
bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine has a molecular weight of 1726.10 g/mol, XLogP of 22.58, 0 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-benzothiazole);1,2-benzoxazole;imidazo[1,2-a]pyridine;tris(1H-indazole);1H-indole;pyrazolo[1,5-a]pyridine;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;3H-pyrrolo[2,3-b]pyridine;[1,3]thiazolo[4,5-b]pyridine;[1,3]thiazolo[4,5-c]pyridine is sourced from PubChem (CID 167547428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).