1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone

C19H19ClF2N4O — CID 142616907

IUPAC1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)c(C2CC2)c(F)c1)N1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C19H19ClF2N4O/c20-16-3-4-17(24-23-16)25-5-7-26(8-6-25)18(27)11-12-9-14(21)19(13-1-2-13)15(22)10-12/h3-4,9-10,13H,1-2,5-8,11H2
InChIKeyZKWJISVPHUTEEB-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.18
Rot. Bonds4

About 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone

1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone (PubChem CID 142616907) has the molecular formula C19H19ClF2N4O and a molecular weight of 392.84 g/mol. Its IUPAC name is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone
PubChem CID142616907
Molecular FormulaC19H19ClF2N4O
Molecular Weight392.84 g/mol
Exact Mass392.12
IUPAC Name1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone
SMILESO=C(Cc1cc(F)c(C2CC2)c(F)c1)N1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C19H19ClF2N4O/c20-16-3-4-17(24-23-16)25-5-7-26(8-6-25)18(27)11-12-9-14(21)19(13-1-2-13)15(22)10-12/h3-4,9-10,13H,1-2,5-8,11H2
InChIKeyZKWJISVPHUTEEB-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone?
The IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone (CID 142616907) is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone?
The canonical SMILES for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone is O=C(Cc1cc(F)c(C2CC2)c(F)c1)N1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone?
The InChIKey is ZKWJISVPHUTEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O/c20-16-3-4-17(24-23-16)25-5-7-26(8-6-25)18(27)11-12-9-14(21)19(13-1-2-13)15(22)10-12/h3-4,9-10,13H,1-2,5-8,11H2.
What are the key properties of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone?
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone has a molecular weight of 392.84 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-3,5-difluorophenyl)ethanone is sourced from PubChem (CID 142616907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).