1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone

C19H20ClFN4O — CID 142616972

IUPAC1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(C2CC2)cc1F)N1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-15-4-3-14(11-16(15)21)13-1-2-13/h3-6,11,13H,1-2,7-10,12H2
InChIKeyWCYJBHQKFUNHGO-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.04
Rot. Bonds4

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

1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone (PubChem CID 142616972) has the molecular formula C19H20ClFN4O and a molecular weight of 374.85 g/mol. Its IUPAC name is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone
PubChem CID142616972
Molecular FormulaC19H20ClFN4O
Molecular Weight374.85 g/mol
Exact Mass374.13
IUPAC Name1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(C2CC2)cc1F)N1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-15-4-3-14(11-16(15)21)13-1-2-13/h3-6,11,13H,1-2,7-10,12H2
InChIKeyWCYJBHQKFUNHGO-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.04
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-2-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone (CID 142616972) is 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone is O=C(Cc1ccc(C2CC2)cc1F)N1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone?
The InChIKey is WCYJBHQKFUNHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4O/c20-17-5-6-18(23-22-17)24-7-9-25(10-8-24)19(26)12-15-4-3-14(11-16(15)21)13-1-2-13/h3-6,11,13H,1-2,7-10,12H2.
What are the key properties of 1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone?
1-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]-2-(4-cyclopropyl-2-fluorophenyl)ethanone has a molecular weight of 374.85 g/mol, XLogP of 3.04, 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-2-fluorophenyl)ethanone is sourced from PubChem (CID 142616972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).