N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide

C31H22N4O2 — CID 69371113

IUPACN-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide
SMILESO=C(c1cccc(NC(=O)c2cccc3[nH]ccc23)c1)c1ccc2cnn(C=Cc3ccccc3)c2c1
InChIInChI=1S/C31H22N4O2/c36-30(23-12-13-24-20-33-35(29(24)19-23)17-15-21-6-2-1-3-7-21)22-8-4-9-25(18-22)34-31(37)27-10-5-11-28-26(27)14-16-32-28/h1-20,32H,(H,34,37)
InChIKeyAZMIQAHBYHEHEM-UHFFFAOYSA-N
MW482.54 g/mol
LogP6.63
Rot. Bonds6

About N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide

N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide (PubChem CID 69371113) has the molecular formula C31H22N4O2 and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide
PubChem CID69371113
Molecular FormulaC31H22N4O2
Molecular Weight482.54 g/mol
Exact Mass482.17
IUPAC NameN-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide
SMILESO=C(c1cccc(NC(=O)c2cccc3[nH]ccc23)c1)c1ccc2cnn(C=Cc3ccccc3)c2c1
InChIInChI=1S/C31H22N4O2/c36-30(23-12-13-24-20-33-35(29(24)19-23)17-15-21-6-2-1-3-7-21)22-8-4-9-25(18-22)34-31(37)27-10-5-11-28-26(27)14-16-32-28/h1-20,32H,(H,34,37)
InChIKeyAZMIQAHBYHEHEM-UHFFFAOYSA-N
XLogP6.63
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 56.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide (CID 69371113) is N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide is O=C(c1cccc(NC(=O)c2cccc3[nH]ccc23)c1)c1ccc2cnn(C=Cc3ccccc3)c2c1.
What is the InChIKey of N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide?
The InChIKey is AZMIQAHBYHEHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4O2/c36-30(23-12-13-24-20-33-35(29(24)19-23)17-15-21-6-2-1-3-7-21)22-8-4-9-25(18-22)34-31(37)27-10-5-11-28-26(27)14-16-32-28/h1-20,32H,(H,34,37).
What are the key properties of N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide?
N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide has a molecular weight of 482.54 g/mol, XLogP of 6.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-phenylethenyl)indazole-6-carbonyl]phenyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 69371113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).