1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea

C19H22FN5O4 — CID 68986576

IUPAC1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(F)cc(OC3CCCN(C(C)=O)C3)c2)nn1
InChIInChI=1S/C19H22FN5O4/c1-12(26)25-7-3-4-15(11-25)29-16-9-13(20)8-14(10-16)21-19(27)22-17-5-6-18(28-2)24-23-17/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H2,21,22,23,27)
InChIKeySTZLLRFFIICTDX-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.66
Rot. Bonds5

About 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea

1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea (PubChem CID 68986576) has the molecular formula C19H22FN5O4 and a molecular weight of 403.41 g/mol. Its IUPAC name is 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea.

Molecular Properties

Compound Name1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea
PubChem CID68986576
Molecular FormulaC19H22FN5O4
Molecular Weight403.41 g/mol
Exact Mass403.17
IUPAC Name1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea
SMILESCOc1ccc(NC(=O)Nc2cc(F)cc(OC3CCCN(C(C)=O)C3)c2)nn1
InChIInChI=1S/C19H22FN5O4/c1-12(26)25-7-3-4-15(11-25)29-16-9-13(20)8-14(10-16)21-19(27)22-17-5-6-18(28-2)24-23-17/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H2,21,22,23,27)
InChIKeySTZLLRFFIICTDX-UHFFFAOYSA-N
XLogP2.66
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea?
The IUPAC name of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea (CID 68986576) is 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea.
What is the SMILES notation for 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea?
The canonical SMILES for 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea is COc1ccc(NC(=O)Nc2cc(F)cc(OC3CCCN(C(C)=O)C3)c2)nn1.
What is the InChIKey of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea?
The InChIKey is STZLLRFFIICTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O4/c1-12(26)25-7-3-4-15(11-25)29-16-9-13(20)8-14(10-16)21-19(27)22-17-5-6-18(28-2)24-23-17/h5-6,8-10,15H,3-4,7,11H2,1-2H3,(H2,21,22,23,27).
What are the key properties of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea?
1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea has a molecular weight of 403.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-(6-methoxypyridazin-3-yl)urea is sourced from PubChem (CID 68986576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).