2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one

C17H21F2N5O2 — CID 172881002

IUPAC2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one
SMILESCn1ccc(CN2CCN(c3cnn(CC(F)F)c(=O)c3)CC2)cc1=O
InChIInChI=1S/C17H21F2N5O2/c1-21-3-2-13(8-16(21)25)11-22-4-6-23(7-5-22)14-9-17(26)24(20-10-14)12-15(18)19/h2-3,8-10,15H,4-7,11-12H2,1H3
InChIKeyJBAHPVSBDSUYSY-UHFFFAOYSA-N
MW365.38 g/mol
LogP0.53
Rot. Bonds5

About 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one

2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 172881002) has the molecular formula C17H21F2N5O2 and a molecular weight of 365.38 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one
PubChem CID172881002
Molecular FormulaC17H21F2N5O2
Molecular Weight365.38 g/mol
Exact Mass365.17
IUPAC Name2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one
SMILESCn1ccc(CN2CCN(c3cnn(CC(F)F)c(=O)c3)CC2)cc1=O
InChIInChI=1S/C17H21F2N5O2/c1-21-3-2-13(8-16(21)25)11-22-4-6-23(7-5-22)14-9-17(26)24(20-10-14)12-15(18)19/h2-3,8-10,15H,4-7,11-12H2,1H3
InChIKeyJBAHPVSBDSUYSY-UHFFFAOYSA-N
XLogP0.53
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one with MolForge

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Related Compounds

4-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 53191759
2-(2,2-difluoroethyl)-5-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)piperazin-1-yl]pyridazin-3-one
CID 172881625
2-(2,2-difluoroethyl)-5-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 171996099
5-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 171994632
1-methyl-4-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]pyridin-2-one
CID 154882591
4-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 75461517
2-(2,2-difluoroethyl)-5-(4-pyrido[2,3-d]pyrimidin-4-ylpiperazin-1-yl)pyridazin-3-one
CID 171997643
1-methyl-4-[[4-[2-(2-oxo-1-pyridinyl)ethyl]piperazin-1-yl]methyl]pyridin-2-one
CID 146125264
4-[[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 154582463
2-(2-hydroxyethyl)-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 114396424
3-(2-hydroxyethyl)-7-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898756
4-[[4-[2-cyclopropyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 154882632

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one (CID 172881002) is 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one is Cn1ccc(CN2CCN(c3cnn(CC(F)F)c(=O)c3)CC2)cc1=O.
What is the InChIKey of 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is JBAHPVSBDSUYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O2/c1-21-3-2-13(8-16(21)25)11-22-4-6-23(7-5-22)14-9-17(26)24(20-10-14)12-15(18)19/h2-3,8-10,15H,4-7,11-12H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one?
2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 365.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5-[4-[(1-methyl-2-oxo-4-pyridinyl)methyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 172881002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).