2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide

C30H24N4O2 — CID 22978337

IUPAC2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
SMILESNC(C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C30H24N4O2/c31-28(21-10-5-2-6-11-21)30(36)32-24-13-7-12-22(18-24)29(35)23-15-16-25-26(33-34-27(25)19-23)17-14-20-8-3-1-4-9-20/h1-19,28H,31H2,(H,32,36)(H,33,34)/b17-14+
InChIKeyGFTZJLUNTOHPBW-SAPNQHFASA-N
MW472.55 g/mol
LogP5.60
Rot. Bonds7

About 2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide

2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide (PubChem CID 22978337) has the molecular formula C30H24N4O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
PubChem CID22978337
Molecular FormulaC30H24N4O2
Molecular Weight472.55 g/mol
Exact Mass472.19
IUPAC Name2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide
SMILESNC(C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)c1ccccc1
InChIInChI=1S/C30H24N4O2/c31-28(21-10-5-2-6-11-21)30(36)32-24-13-7-12-22(18-24)29(35)23-15-16-25-26(33-34-27(25)19-23)17-14-20-8-3-1-4-9-20/h1-19,28H,31H2,(H,32,36)(H,33,34)/b17-14+
InChIKeyGFTZJLUNTOHPBW-SAPNQHFASA-N
XLogP5.60
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.55
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
The IUPAC name of 2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide (CID 22978337) is 2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide is NC(C(=O)Nc1cccc(C(=O)c2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)c1ccccc1.
What is the InChIKey of 2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
The InChIKey is GFTZJLUNTOHPBW-SAPNQHFASA-N. The full InChI is InChI=1S/C30H24N4O2/c31-28(21-10-5-2-6-11-21)30(36)32-24-13-7-12-22(18-24)29(35)23-15-16-25-26(33-34-27(25)19-23)17-14-20-8-3-1-4-9-20/h1-19,28H,31H2,(H,32,36)(H,33,34)/b17-14+.
What are the key properties of 2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide?
2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide has a molecular weight of 472.55 g/mol, XLogP of 5.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-N-[3-[3-[(E)-2-phenylethenyl]-1H-indazole-6-carbonyl]phenyl]acetamide is sourced from PubChem (CID 22978337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).