1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide

C23H15FN6O3 — CID 141497654

IUPAC1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3[nH]ccc23)cc1)c1ccc(=O)n(-c2cccc(F)c2)n1
InChIInChI=1S/C23H15FN6O3/c24-14-2-1-3-16(12-14)30-20(31)9-8-19(29-30)22(32)28-15-4-6-17(7-5-15)33-23-18-10-11-25-21(18)26-13-27-23/h1-13H,(H,28,32)(H,25,26,27)
InChIKeyVTKQGWVYKMQAGR-UHFFFAOYSA-N
MW442.41 g/mol
LogP3.69
Rot. Bonds5

About 1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide

1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide (PubChem CID 141497654) has the molecular formula C23H15FN6O3 and a molecular weight of 442.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide
PubChem CID141497654
Molecular FormulaC23H15FN6O3
Molecular Weight442.41 g/mol
Exact Mass442.12
IUPAC Name1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ncnc3[nH]ccc23)cc1)c1ccc(=O)n(-c2cccc(F)c2)n1
InChIInChI=1S/C23H15FN6O3/c24-14-2-1-3-16(12-14)30-20(31)9-8-19(29-30)22(32)28-15-4-6-17(7-5-15)33-23-18-10-11-25-21(18)26-13-27-23/h1-13H,(H,28,32)(H,25,26,27)
InChIKeyVTKQGWVYKMQAGR-UHFFFAOYSA-N
XLogP3.69
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide
CID 141497643
2,2,2-trifluoro-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]acetamide
CID 170214177
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 59813523
1-(3-chloro-4-fluorophenyl)-4-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,8-naphthyridine-3-carboxamide
CID 155679221
N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 60613100
N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55657959
1-(4-bromophenyl)-4-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,8-naphthyridine-3-carboxamide
CID 155679209
1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-fluoro-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]urea
CID 164595330
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
N-(4-ethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070628
6-oxo-1-phenyl-N-pyridin-4-ylpyridazine-3-carboxamide
CID 39954188
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-(4-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 27443516

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide (CID 141497654) is 1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide is O=C(Nc1ccc(Oc2ncnc3[nH]ccc23)cc1)c1ccc(=O)n(-c2cccc(F)c2)n1.
What is the InChIKey of 1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is VTKQGWVYKMQAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6O3/c24-14-2-1-3-16(12-14)30-20(31)9-8-19(29-30)22(32)28-15-4-6-17(7-5-15)33-23-18-10-11-25-21(18)26-13-27-23/h1-13H,(H,28,32)(H,25,26,27).
What are the key properties of 1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide?
1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 442.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 141497654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).