N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide

C18H14N8O — CID 56921644

IUPACN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cnccn1
InChIInChI=1S/C18H14N8O/c27-18(15-12-19-9-10-20-15)23-14-4-2-13(3-5-14)22-16-6-7-17(25-24-16)26-11-1-8-21-26/h1-12H,(H,22,24)(H,23,27)
InChIKeyKCERQCSJYZYAGO-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.45
Rot. Bonds5

About N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide

N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide (PubChem CID 56921644) has the molecular formula C18H14N8O and a molecular weight of 358.37 g/mol. Its IUPAC name is N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide
PubChem CID56921644
Molecular FormulaC18H14N8O
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC NameN-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cnccn1
InChIInChI=1S/C18H14N8O/c27-18(15-12-19-9-10-20-15)23-14-4-2-13(3-5-14)22-16-6-7-17(25-24-16)26-11-1-8-21-26/h1-12H,(H,22,24)(H,23,27)
InChIKeyKCERQCSJYZYAGO-UHFFFAOYSA-N
XLogP2.45
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 70702543
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 70702527
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-pyrrol-1-ylacetamide
CID 122292130
3,3,3-trifluoro-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 122292138
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122292016
3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122292068
2-(2-chloro-6-fluorophenyl)-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122292158
1-(2,5-dimethylphenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 16839226
N-(4-sulfanylphenyl)pyrazine-2-carboxamide
CID 137223268
N-(4-aminophenyl)pyrazine-2-carboxamide
CID 16775114
N-(4-acetylphenyl)pyrazine-2-carboxamide
CID 803592
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122292140

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide (CID 56921644) is N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cnccn1.
What is the InChIKey of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide?
The InChIKey is KCERQCSJYZYAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O/c27-18(15-12-19-9-10-20-15)23-14-4-2-13(3-5-14)22-16-6-7-17(25-24-16)26-11-1-8-21-26/h1-12H,(H,22,24)(H,23,27).
What are the key properties of N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide?
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 56921644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).