2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C19H22F3N5O — CID 126914444

IUPAC2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(c3ncccc3C(F)(F)F)CC1)CCC2
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)15-4-2-6-23-18(15)26-10-7-25(8-11-26)9-12-27-17(28)13-14-3-1-5-16(14)24-27/h2,4,6,13H,1,3,5,7-12H2
InChIKeyZOILNKRFWGSJLG-UHFFFAOYSA-N
MW393.41 g/mol
LogP1.97
Rot. Bonds4

About 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126914444) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126914444
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CCN1CCN(c3ncccc3C(F)(F)F)CC1)CCC2
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)15-4-2-6-23-18(15)26-10-7-25(8-11-26)9-12-27-17(28)13-14-3-1-5-16(14)24-27/h2,4,6,13H,1,3,5,7-12H2
InChIKeyZOILNKRFWGSJLG-UHFFFAOYSA-N
XLogP1.97
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126914444) is 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CCN1CCN(c3ncccc3C(F)(F)F)CC1)CCC2.
What is the InChIKey of 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is ZOILNKRFWGSJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c20-19(21,22)15-4-2-6-23-18(15)26-10-7-25(8-11-26)9-12-27-17(28)13-14-3-1-5-16(14)24-27/h2,4,6,13H,1,3,5,7-12H2.
What are the key properties of 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 393.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126914444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).