2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C36H24N14 — CID 146387216

IUPAC2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cccc(-c3nc4c(-c5ccc6nc[nH]c6c5)c(-c5ccccc5)nc(N)n4n3)c2)c(-c2ccc3[nH]ncc3c2)c2ncnn12
InChIInChI=1S/C36H24N14/c37-35-45-31(28(33-41-18-43-49(33)35)20-9-11-25-24(13-20)16-42-47-25)22-7-4-8-23(14-22)32-46-34-29(21-10-12-26-27(15-21)40-17-39-26)30(19-5-2-1-3-6-19)44-36(38)50(34)48-32/h1-18H,(H2,37,45)(H2,38,44)(H,39,40)(H,42,47)
InChIKeyXAGPHXSPUCWIDF-UHFFFAOYSA-N
MW652.69 g/mol
LogP5.81
Rot. Bonds5

About 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146387216) has the molecular formula C36H24N14 and a molecular weight of 652.69 g/mol. Its IUPAC name is 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146387216
Molecular FormulaC36H24N14
Molecular Weight652.69 g/mol
Exact Mass652.23
IUPAC Name2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nc(-c2cccc(-c3nc4c(-c5ccc6nc[nH]c6c5)c(-c5ccccc5)nc(N)n4n3)c2)c(-c2ccc3[nH]ncc3c2)c2ncnn12
InChIInChI=1S/C36H24N14/c37-35-45-31(28(33-41-18-43-49(33)35)20-9-11-25-24(13-20)16-42-47-25)22-7-4-8-23(14-22)32-46-34-29(21-10-12-26-27(15-21)40-17-39-26)30(19-5-2-1-3-6-19)44-36(38)50(34)48-32/h1-18H,(H2,37,45)(H2,38,44)(H,39,40)(H,42,47)
InChIKeyXAGPHXSPUCWIDF-UHFFFAOYSA-N
XLogP5.81
TPSA195.56 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500652.69
LogP ≤ 55.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Related Compounds

2-[3-[5-amino-8-(3-chloro-4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387214
8-phenyl-1H-[1,2,4]triazolo[5,1-f]purin-5-amine
CID 135597547
[5-amino-8-(2,3-dihydro-1H-benzotriazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]methanol
CID 146387175
6-(2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-benzimidazole
CID 12000104
N-[2-[4-amino-3-(3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-N-benzylbenzamide
CID 118064216
2-(3H-benzimidazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154657543
4-(1H-indazol-5-yl)quinoline
CID 139407455
2-[4-(3H-benzimidazol-5-yl)phenyl]-7H-purine
CID 89475023
5-[6-(3-chlorophenyl)pyrimidin-4-yl]-1H-indazole
CID 141192879
8-(2-chloro-6-methyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 146387201
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
2-(3H-benzimidazol-5-yl)phenol
CID 162260962

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146387216) is 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nc(-c2cccc(-c3nc4c(-c5ccc6nc[nH]c6c5)c(-c5ccccc5)nc(N)n4n3)c2)c(-c2ccc3[nH]ncc3c2)c2ncnn12.
What is the InChIKey of 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is XAGPHXSPUCWIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N14/c37-35-45-31(28(33-41-18-43-49(33)35)20-9-11-25-24(13-20)16-42-47-25)22-7-4-8-23(14-22)32-46-34-29(21-10-12-26-27(15-21)40-17-39-26)30(19-5-2-1-3-6-19)44-36(38)50(34)48-32/h1-18H,(H2,37,45)(H2,38,44)(H,39,40)(H,42,47).
What are the key properties of 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 652.69 g/mol, XLogP of 5.81, 5 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-8-(1H-indazol-5-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]-8-(3H-benzimidazol-5-yl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146387216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).