2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide

C31H25N5O — CID 134144808

IUPAC2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
SMILESO=C(Cn1ccc2ccccc21)Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C31H25N5O/c37-31(21-36-18-17-23-9-4-5-12-30(23)36)33-25-11-6-10-24(19-25)32-26-14-15-27-28(34-35-29(27)20-26)16-13-22-7-2-1-3-8-22/h1-20,32H,21H2,(H,33,37)(H,34,35)/b16-13+
InChIKeyGOTZPIGBJAUYNW-DTQAZKPQSA-N
MW483.58 g/mol
LogP7.07
Rot. Bonds7

About 2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide

2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide (PubChem CID 134144808) has the molecular formula C31H25N5O and a molecular weight of 483.58 g/mol. Its IUPAC name is 2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
PubChem CID134144808
Molecular FormulaC31H25N5O
Molecular Weight483.58 g/mol
Exact Mass483.21
IUPAC Name2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide
SMILESO=C(Cn1ccc2ccccc21)Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C31H25N5O/c37-31(21-36-18-17-23-9-4-5-12-30(23)36)33-25-11-6-10-24(19-25)32-26-14-15-27-28(34-35-29(27)20-26)16-13-22-7-2-1-3-8-22/h1-20,32H,21H2,(H,33,37)(H,34,35)/b16-13+
InChIKeyGOTZPIGBJAUYNW-DTQAZKPQSA-N
XLogP7.07
TPSA74.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 57.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
1-(4-{[2-(1H-indazol-3-yl)-1H-indol-5-yl]methyl}piperazin-1-yl)ethan-1-one
CID 135559055
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-1H-indazol-4-yl-1-[(9-methyl-9H-carbazol-3-yl)methyl]urea
CID 16749565
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
N-[[5-(2,6-difluorophenyl)-2-pyridinyl]methyl]-2-(12-fluoro-5,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,10(15),11,13-hexaen-16-yl)acetamide
CID 121277778
2-(dimethylamino)-N-(4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl)acetamide
CID 10179913
N-(4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)phenyl)-2-(pyrrolidin-1-yl)acetamide
CID 10273926
4-(aminomethyl)-N-[1-[4-(1H-indazol-5-yl)-2-pyridinyl]-2-phenylethyl]cyclohexane-1-carboxamide
CID 11698163
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]cyclopropanecarboxamide
CID 44540492
5-(pyridin-4-yl)-6-(pyrrolidin-1-yl)-3-styryl-1H-indazole
CID 46886344
QL-Xii-46
CID 73776208

Frequently Asked Questions

What is the IUPAC name of 2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide?
The IUPAC name of 2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide (CID 134144808) is 2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide is O=C(Cn1ccc2ccccc21)Nc1cccc(Nc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide?
The InChIKey is GOTZPIGBJAUYNW-DTQAZKPQSA-N. The full InChI is InChI=1S/C31H25N5O/c37-31(21-36-18-17-23-9-4-5-12-30(23)36)33-25-11-6-10-24(19-25)32-26-14-15-27-28(34-35-29(27)20-26)16-13-22-7-2-1-3-8-22/h1-20,32H,21H2,(H,33,37)(H,34,35)/b16-13+.
What are the key properties of 2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide?
2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide has a molecular weight of 483.58 g/mol, XLogP of 7.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indol-1-yl-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]amino]phenyl]acetamide is sourced from PubChem (CID 134144808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).