1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea

C20H16FN7O — CID 16839228

IUPAC1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea
SMILESO=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C20H16FN7O/c21-14-3-1-4-17(13-14)25-20(29)24-16-7-5-15(6-8-16)23-18-9-10-19(27-26-18)28-12-2-11-22-28/h1-13H,(H,23,26)(H2,24,25,29)
InChIKeyPTCHHRZOGINPGV-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.19
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea

1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea (PubChem CID 16839228) has the molecular formula C20H16FN7O and a molecular weight of 389.39 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea
PubChem CID16839228
Molecular FormulaC20H16FN7O
Molecular Weight389.39 g/mol
Exact Mass389.14
IUPAC Name1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea
SMILESO=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)Nc1cccc(F)c1
InChIInChI=1S/C20H16FN7O/c21-14-3-1-4-17(13-14)25-20(29)24-16-7-5-15(6-8-16)23-18-9-10-19(27-26-18)28-12-2-11-22-28/h1-13H,(H,23,26)(H2,24,25,29)
InChIKeyPTCHHRZOGINPGV-UHFFFAOYSA-N
XLogP4.19
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea (CID 16839228) is 1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea is O=C(Nc1ccc(Nc2ccc(-n3cccn3)nn2)cc1)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea?
The InChIKey is PTCHHRZOGINPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O/c21-14-3-1-4-17(13-14)25-20(29)24-16-7-5-15(6-8-16)23-18-9-10-19(27-26-18)28-12-2-11-22-28/h1-13H,(H,23,26)(H2,24,25,29).
What are the key properties of 1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea?
1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea has a molecular weight of 389.39 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea is sourced from PubChem (CID 16839228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).