5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

C18H20ClFN4O — CID 138471942

IUPAC5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(Cc3ccc(F)cc3C3CC3)CC2)c1Cl
InChIInChI=1S/C18H20ClFN4O/c19-17-16(10-21-22-18(17)25)24-7-5-23(6-8-24)11-13-3-4-14(20)9-15(13)12-1-2-12/h3-4,9-10,12H,1-2,5-8,11H2,(H,22,25)
InChIKeyLFZFXQFUCBFSSO-UHFFFAOYSA-N
MW362.84 g/mol
LogP2.76
Rot. Bonds4

About 5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one

5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 138471942) has the molecular formula C18H20ClFN4O and a molecular weight of 362.84 g/mol. Its IUPAC name is 5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID138471942
Molecular FormulaC18H20ClFN4O
Molecular Weight362.84 g/mol
Exact Mass362.13
IUPAC Name5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCN(Cc3ccc(F)cc3C3CC3)CC2)c1Cl
InChIInChI=1S/C18H20ClFN4O/c19-17-16(10-21-22-18(17)25)24-7-5-23(6-8-24)11-13-3-4-14(20)9-15(13)12-1-2-12/h3-4,9-10,12H,1-2,5-8,11H2,(H,22,25)
InChIKeyLFZFXQFUCBFSSO-UHFFFAOYSA-N
XLogP2.76
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one (CID 138471942) is 5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCN(Cc3ccc(F)cc3C3CC3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is LFZFXQFUCBFSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O/c19-17-16(10-21-22-18(17)25)24-7-5-23(6-8-24)11-13-3-4-14(20)9-15(13)12-1-2-12/h3-4,9-10,12H,1-2,5-8,11H2,(H,22,25).
What are the key properties of 5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one?
5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 362.84 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-[(2-cyclopropyl-4-fluorophenyl)methyl]piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 138471942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).