2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

C24H22F2N6O — CID 126863717

IUPAC2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCN(c2nc(C(F)F)nc3ccccc23)CC1
InChIInChI=1S/C24H22F2N6O/c25-22(26)23-28-20-4-2-1-3-18(20)24(29-23)31-13-9-16(10-14-31)15-32-21(33)6-5-19(30-32)17-7-11-27-12-8-17/h1-8,11-12,16,22H,9-10,13-15H2
InChIKeyHKBWESVZWOPBCL-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.10
Rot. Bonds5

About 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one

2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126863717) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126863717
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1CC1CCN(c2nc(C(F)F)nc3ccccc23)CC1
InChIInChI=1S/C24H22F2N6O/c25-22(26)23-28-20-4-2-1-3-18(20)24(29-23)31-13-9-16(10-14-31)15-32-21(33)6-5-19(30-32)17-7-11-27-12-8-17/h1-8,11-12,16,22H,9-10,13-15H2
InChIKeyHKBWESVZWOPBCL-UHFFFAOYSA-N
XLogP4.10
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-[2-(difluoromethyl)quinazolin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929847
2-[(1-phthalazin-1-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863563
6-cyclopropyl-3-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941871
2-[[1-(2-oxo-1H-pyrazin-3-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863740
6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126929664
6-(4-fluorophenyl)-2-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyridazin-3-one
CID 139023445
2-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863499
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]azetidin-3-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126928383
2-[[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863543
2-[[1-(2-hydroxycyclobutyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863759
2-[(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126855700
2-[[1-(6-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126863495

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one (CID 126863717) is 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is O=c1ccc(-c2ccncc2)nn1CC1CCN(c2nc(C(F)F)nc3ccccc23)CC1.
What is the InChIKey of 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is HKBWESVZWOPBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O/c25-22(26)23-28-20-4-2-1-3-18(20)24(29-23)31-13-9-16(10-14-31)15-32-21(33)6-5-19(30-32)17-7-11-27-12-8-17/h1-8,11-12,16,22H,9-10,13-15H2.
What are the key properties of 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one?
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 448.48 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(difluoromethyl)quinazolin-4-yl]piperidin-4-yl]methyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126863717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).