4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole

C47H32N14 — CID 141348276

IUPAC4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole
SMILESc1ccc(N2c3c(-c4cnccn4)c(-c4ncccn4)c(-c4cccnn4)c(-c4cc5ccccc5[nH]4)c3C(c3ccc[nH]3)(c3[nH]cc4ccccc34)N2c2cc[nH]n2)nc1
InChIInChI=1S/C47H32N14/c1-3-12-31-30(11-1)27-54-45(31)47(36-15-8-19-50-36)43-40(34-26-29-10-2-4-13-32(29)57-34)39(33-14-7-22-55-58-33)42(46-52-20-9-21-53-46)41(35-28-48-24-25-49-35)44(43)60(37-16-5-6-18-51-37)61(47)38-17-23-56-59-38/h1-28,50,54,57H,(H,56,59)
InChIKeyXUAJVAZOCMDQBG-UHFFFAOYSA-N
MW792.87 g/mol
LogP9.00
Rot. Bonds8

About 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole

4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole (PubChem CID 141348276) has the molecular formula C47H32N14 and a molecular weight of 792.87 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole
PubChem CID141348276
Molecular FormulaC47H32N14
Molecular Weight792.87 g/mol
Exact Mass792.29
IUPAC Name4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole
SMILESc1ccc(N2c3c(-c4cnccn4)c(-c4ncccn4)c(-c4cccnn4)c(-c4cc5ccccc5[nH]4)c3C(c3ccc[nH]3)(c3[nH]cc4ccccc34)N2c2cc[nH]n2)nc1
InChIInChI=1S/C47H32N14/c1-3-12-31-30(11-1)27-54-45(31)47(36-15-8-19-50-36)43-40(34-26-29-10-2-4-13-32(29)57-34)39(33-14-7-22-55-58-33)42(46-52-20-9-21-53-46)41(35-28-48-24-25-49-35)44(43)60(37-16-5-6-18-51-37)61(47)38-17-23-56-59-38/h1-28,50,54,57H,(H,56,59)
InChIKeyXUAJVAZOCMDQBG-UHFFFAOYSA-N
XLogP9.00
TPSA172.76 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.87
LogP ≤ 59.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole with MolForge

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Related Compounds

7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649
7-(2,3-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836748
7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836857
3-(7-fluoro-1H-indazol-4-yl)-7-[2-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49836968

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole?
The IUPAC name of 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole (CID 141348276) is 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole.
What is the SMILES notation for 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole?
The canonical SMILES for 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole is c1ccc(N2c3c(-c4cnccn4)c(-c4ncccn4)c(-c4cccnn4)c(-c4cc5ccccc5[nH]4)c3C(c3ccc[nH]3)(c3[nH]cc4ccccc34)N2c2cc[nH]n2)nc1.
What is the InChIKey of 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole?
The InChIKey is XUAJVAZOCMDQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N14/c1-3-12-31-30(11-1)27-54-45(31)47(36-15-8-19-50-36)43-40(34-26-29-10-2-4-13-32(29)57-34)39(33-14-7-22-55-58-33)42(46-52-20-9-21-53-46)41(35-28-48-24-25-49-35)44(43)60(37-16-5-6-18-51-37)61(47)38-17-23-56-59-38/h1-28,50,54,57H,(H,56,59).
What are the key properties of 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole?
4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole has a molecular weight of 792.87 g/mol, XLogP of 9.00, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-7-pyrazin-2-yl-2-(1H-pyrazol-3-yl)-5-pyridazin-3-yl-1-pyridin-2-yl-6-pyrimidin-2-yl-3-(1H-pyrrol-2-yl)indazole is sourced from PubChem (CID 141348276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).