1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea

C18H20FN5O3 — CID 68984424

IUPAC1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea
SMILESCC(=O)N1CCCC(Oc2cc(F)cc(NC(=O)Nc3cccnn3)c2)C1
InChIInChI=1S/C18H20FN5O3/c1-12(25)24-7-3-4-15(11-24)27-16-9-13(19)8-14(10-16)21-18(26)22-17-5-2-6-20-23-17/h2,5-6,8-10,15H,3-4,7,11H2,1H3,(H2,21,22,23,26)
InChIKeyKSMCCGIPDHMBOT-UHFFFAOYSA-N
MW373.39 g/mol
LogP2.65
Rot. Bonds4

About 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea

1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea (PubChem CID 68984424) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea.

Molecular Properties

Compound Name1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea
PubChem CID68984424
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC Name1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea
SMILESCC(=O)N1CCCC(Oc2cc(F)cc(NC(=O)Nc3cccnn3)c2)C1
InChIInChI=1S/C18H20FN5O3/c1-12(25)24-7-3-4-15(11-24)27-16-9-13(19)8-14(10-16)21-18(26)22-17-5-2-6-20-23-17/h2,5-6,8-10,15H,3-4,7,11H2,1H3,(H2,21,22,23,26)
InChIKeyKSMCCGIPDHMBOT-UHFFFAOYSA-N
XLogP2.65
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea?
The IUPAC name of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea (CID 68984424) is 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea.
What is the SMILES notation for 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea?
The canonical SMILES for 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea is CC(=O)N1CCCC(Oc2cc(F)cc(NC(=O)Nc3cccnn3)c2)C1.
What is the InChIKey of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea?
The InChIKey is KSMCCGIPDHMBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c1-12(25)24-7-3-4-15(11-24)27-16-9-13(19)8-14(10-16)21-18(26)22-17-5-2-6-20-23-17/h2,5-6,8-10,15H,3-4,7,11H2,1H3,(H2,21,22,23,26).
What are the key properties of 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea?
1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea has a molecular weight of 373.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-acetylpiperidin-3-yl)oxy-5-fluorophenyl]-3-pyridazin-3-ylurea is sourced from PubChem (CID 68984424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).