6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one

C19H16F3N5O — CID 126929664

IUPAC6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)15-2-1-7-24-18(15)26-10-13(11-26)12-27-17(28)4-3-16(25-27)14-5-8-23-9-6-14/h1-9,13H,10-12H2
InChIKeyUZSNVKGCOHUQQI-UHFFFAOYSA-N
MW387.37 g/mol
LogP2.86
Rot. Bonds4

About 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one

6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126929664) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126929664
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CN(c2ncccc2C(F)(F)F)C1
InChIInChI=1S/C19H16F3N5O/c20-19(21,22)15-2-1-7-24-18(15)26-10-13(11-26)12-27-17(28)4-3-16(25-27)14-5-8-23-9-6-14/h1-9,13H,10-12H2
InChIKeyUZSNVKGCOHUQQI-UHFFFAOYSA-N
XLogP2.86
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]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

Related Compounds

6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926087
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929847
2-[[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929734
2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863740
2-[[1-(4-methyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929900
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863717
2-[[1-[2-(methoxymethyl)pyrimidin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929861
2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929767
2-[[1-(azepan-1-ylsulfonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929740
N-cyclopentyl-3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidine-1-carboxamide
CID 126929617
6-pyridin-3-yl-2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929526
2-[[1-(isoquinoline-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929610

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one (CID 126929664) is 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CC1CN(c2ncccc2C(F)(F)F)C1.
What is the InChIKey of 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is UZSNVKGCOHUQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c20-19(21,22)15-2-1-7-24-18(15)26-10-13(11-26)12-27-17(28)4-3-16(25-27)14-5-8-23-9-6-14/h1-9,13H,10-12H2.
What are the key properties of 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one?
6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 387.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126929664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).