4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide

C17H13N7O — CID 44580824

IUPAC4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C17H13N7O/c18-16(25)11-3-5-12(6-4-11)22-17-19-9-7-14(23-17)13-10-21-24-15(13)2-1-8-20-24/h1-10H,(H2,18,25)(H,19,22,23)
InChIKeyUKNGIFKYRYBARW-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.03
Rot. Bonds4

About 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide

4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide (PubChem CID 44580824) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide.

Molecular Properties

Compound Name4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide
PubChem CID44580824
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide
SMILESNC(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1
InChIInChI=1S/C17H13N7O/c18-16(25)11-3-5-12(6-4-11)22-17-19-9-7-14(23-17)13-10-21-24-15(13)2-1-8-20-24/h1-10H,(H2,18,25)(H,19,22,23)
InChIKeyUKNGIFKYRYBARW-UHFFFAOYSA-N
XLogP2.03
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 91103828
N-(4-methylsulfonylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 10172462
N-(4-nitrophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539363
N-(3,5-dichlorophenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539378
4-[[4-(4-pyrrol-1-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 58599454
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
4-[[4-[4-(4,5-dihydroimidazol-1-yl)phenyl]pyrimidin-2-yl]amino]benzamide
CID 142946370
4-[[4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]amino]benzamide
CID 10112610
2-methyl-3-[2-[4-(propan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]benzamide
CID 68870589
3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]benzonitrile
CID 155552177
4-[(5-chloro-4-phenylpyrimidin-2-yl)amino]benzamide
CID 117073988
N-[3-(2-chloroethoxy)phenyl]-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
CID 141174304

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide?
The IUPAC name of 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide (CID 44580824) is 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide.
What is the SMILES notation for 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide?
The canonical SMILES for 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide is NC(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1.
What is the InChIKey of 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide?
The InChIKey is UKNGIFKYRYBARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O/c18-16(25)11-3-5-12(6-4-11)22-17-19-9-7-14(23-17)13-10-21-24-15(13)2-1-8-20-24/h1-10H,(H2,18,25)(H,19,22,23).
What are the key properties of 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide?
4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide has a molecular weight of 331.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzamide is sourced from PubChem (CID 44580824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).