1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one

C22H24FN7O2 — CID 163358361

IUPAC1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCCC(=O)N1Cc1ccc(F)cc1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C22H24FN7O2/c23-17-6-4-16(5-7-17)14-29-18(2-1-3-21(29)31)22(32)28-12-10-27(11-13-28)20-9-8-19-25-24-15-30(19)26-20/h4-9,15,18H,1-3,10-14H2
InChIKeyJZWLJOIXUGABLB-UHFFFAOYSA-N
MW437.48 g/mol
LogP1.49
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one

1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 163358361) has the molecular formula C22H24FN7O2 and a molecular weight of 437.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID163358361
Molecular FormulaC22H24FN7O2
Molecular Weight437.48 g/mol
Exact Mass437.20
IUPAC Name1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one
SMILESO=C(C1CCCC(=O)N1Cc1ccc(F)cc1)N1CCN(c2ccc3nncn3n2)CC1
InChIInChI=1S/C22H24FN7O2/c23-17-6-4-16(5-7-17)14-29-18(2-1-3-21(29)31)22(32)28-12-10-27(11-13-28)20-9-8-19-25-24-15-30(19)26-20/h4-9,15,18H,1-3,10-14H2
InChIKeyJZWLJOIXUGABLB-UHFFFAOYSA-N
XLogP1.49
TPSA86.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one (CID 163358361) is 1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one is O=C(C1CCCC(=O)N1Cc1ccc(F)cc1)N1CCN(c2ccc3nncn3n2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is JZWLJOIXUGABLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O2/c23-17-6-4-16(5-7-17)14-29-18(2-1-3-21(29)31)22(32)28-12-10-27(11-13-28)20-9-8-19-25-24-15-30(19)26-20/h4-9,15,18H,1-3,10-14H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one?
1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 437.48 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 163358361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).