N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide

C20H16N8O — CID 23656870

IUPACN-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1
InChIInChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27)
InChIKeyQVKXQLGRDOMAGC-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.44
Rot. Bonds5

About N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide

N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide (PubChem CID 23656870) has the molecular formula C20H16N8O and a molecular weight of 384.40 g/mol. Its IUPAC name is N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide
PubChem CID23656870
Molecular FormulaC20H16N8O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC NameN-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1
InChIInChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27)
InChIKeyQVKXQLGRDOMAGC-UHFFFAOYSA-N
XLogP3.44
TPSA120.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide with MolForge

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Related Compounds

Acetamide, N-[2-[(2-aminoethyl)methylamino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]-
CID 56946894
N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide
CID 72163809
Acetamide, N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[[2-(dimethylamino)ethyl]methylamino]phenyl]-
CID 76321032
N,N'-Diphenylpyrazolo(1,5-A)(1,3,5)triazine-2,4-diamine
CID 24779674
2-(Cyclohexylmethylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779675
2-(4-Ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779677
1,5-Dimethyl-2-phenyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pyrazol-3-one
CID 1315303
N-Desesethylzaleplon
CID 9993635
N-[5-({3-Cyano-7-[(1-Methyl-1h-Imidazol-4-Yl)amino]pyrazolo[1,5-A]pyrimidin-5-Yl}amino)-2-Methylphenyl]acetamide
CID 72164045
N-[5-[[7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide
CID 73346024
Sgc-CK2-1
CID 146681133
N-(3-{4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazin-1-yl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}phenyl)butanamide
CID 90795938

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide (CID 23656870) is N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2nc(Nc3ccccc3)n3ncc(C#N)c3n2)c1.
What is the InChIKey of N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide?
The InChIKey is QVKXQLGRDOMAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8O/c1-13(29)23-16-8-5-9-17(10-16)24-19-26-18-14(11-21)12-22-28(18)20(27-19)25-15-6-3-2-4-7-15/h2-10,12H,1H3,(H,23,29)(H2,24,25,26,27).
What are the key properties of N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide?
N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide has a molecular weight of 384.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-anilino-8-cyanopyrazolo[1,5-a][1,3,5]triazin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 23656870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).