2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole

C68H48N26S — CID 141290187

IUPAC2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole
SMILESc1ccc(C23N(c4nc[nH]n4)C(c4ncc[nH]4)(c4nc5ccccc5[nH]4)C(c4cc[nH]n4)(c4n[nH]c5ccccc45)C(c4cc5ccccc5[nH]4)(c4nccs4)C2(c2ccc[nH]2)N(c2cccnn2)N(c2cnccn2)C3(c2cnc3ccccc3n2)c2ncccn2)nc1
InChIInChI=1S/C68H48N26S/c1-3-16-44-42(14-1)38-53(83-44)64(61-77-36-37-95-61)63(50-25-31-81-88-50,57-43-15-2-4-17-45(43)87-90-57)66(59-75-34-35-76-59,60-85-48-20-7-8-21-49(48)86-60)92(62-79-41-82-91-62)68(52-22-9-10-26-70-52)65(58-73-28-13-29-74-58,54-39-78-46-18-5-6-19-47(46)84-54)93(56-40-69-32-33-72-56)94(55-24-12-30-80-89-55)67(64,68)51-23-11-27-71-51/h1-41,71,83H,(H,75,76)(H,81,88)(H,85,86)(H,87,90)(H,79,82,91)
InChIKeySRFCATYSJXEEAT-UHFFFAOYSA-N
MW1261.38 g/mol
LogP9.39
Rot. Bonds13

About 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole

2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole (PubChem CID 141290187) has the molecular formula C68H48N26S and a molecular weight of 1261.38 g/mol. Its IUPAC name is 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole
PubChem CID141290187
Molecular FormulaC68H48N26S
Molecular Weight1261.38 g/mol
Exact Mass1260.43
IUPAC Name2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole
SMILESc1ccc(C23N(c4nc[nH]n4)C(c4ncc[nH]4)(c4nc5ccccc5[nH]4)C(c4cc[nH]n4)(c4n[nH]c5ccccc45)C(c4cc5ccccc5[nH]4)(c4nccs4)C2(c2ccc[nH]2)N(c2cccnn2)N(c2cnccn2)C3(c2cnc3ccccc3n2)c2ncccn2)nc1
InChIInChI=1S/C68H48N26S/c1-3-16-44-42(14-1)38-53(83-44)64(61-77-36-37-95-61)63(50-25-31-81-88-50,57-43-15-2-4-17-45(43)87-90-57)66(59-75-34-35-76-59,60-85-48-20-7-8-21-49(48)86-60)92(62-79-41-82-91-62)68(52-22-9-10-26-70-52)65(58-73-28-13-29-74-58,54-39-78-46-18-5-6-19-47(46)84-54)93(56-40-69-32-33-72-56)94(55-24-12-30-80-89-55)67(64,68)51-23-11-27-71-51/h1-41,71,83H,(H,75,76)(H,81,88)(H,85,86)(H,87,90)(H,79,82,91)
InChIKeySRFCATYSJXEEAT-UHFFFAOYSA-N
XLogP9.39
TPSA326.49 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001261.38
LogP ≤ 59.39
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

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US20240109900, Example 459
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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole?
The IUPAC name of 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole (CID 141290187) is 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole.
What is the SMILES notation for 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole?
The canonical SMILES for 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole is c1ccc(C23N(c4nc[nH]n4)C(c4ncc[nH]4)(c4nc5ccccc5[nH]4)C(c4cc[nH]n4)(c4n[nH]c5ccccc45)C(c4cc5ccccc5[nH]4)(c4nccs4)C2(c2ccc[nH]2)N(c2cccnn2)N(c2cnccn2)C3(c2cnc3ccccc3n2)c2ncccn2)nc1.
What is the InChIKey of 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole?
The InChIKey is SRFCATYSJXEEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N26S/c1-3-16-44-42(14-1)38-53(83-44)64(61-77-36-37-95-61)63(50-25-31-81-88-50,57-43-15-2-4-17-45(43)87-90-57)66(59-75-34-35-76-59,60-85-48-20-7-8-21-49(48)86-60)92(62-79-41-82-91-62)68(52-22-9-10-26-70-52)65(58-73-28-13-29-74-58,54-39-78-46-18-5-6-19-47(46)84-54)93(56-40-69-32-33-72-56)94(55-24-12-30-80-89-55)67(64,68)51-23-11-27-71-51/h1-41,71,83H,(H,75,76)(H,81,88)(H,85,86)(H,87,90)(H,79,82,91).
What are the key properties of 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole?
2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole has a molecular weight of 1261.38 g/mol, XLogP of 9.39, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-benzimidazol-2-yl)-5-(1H-imidazol-2-yl)-6-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-2-pyrazin-2-yl-6-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-3a-pyridin-2-yl-3-pyrimidin-2-yl-7a-(1H-pyrrol-2-yl)-3-quinoxalin-2-yl-4-(1H-1,2,4-triazol-3-yl)pyrazolo[4,3-b]pyridin-7-yl]-1,3-thiazole is sourced from PubChem (CID 141290187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).