6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one

C18H24FN5O — CID 126862316

IUPAC6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C18H24FN5O/c1-18(2,3)15-4-5-16(25)24(22-15)12-13-6-8-23(9-7-13)17-20-10-14(19)11-21-17/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyPQTFMOBBJABDMS-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.39
Rot. Bonds3

About 6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one

6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862316) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862316
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C18H24FN5O/c1-18(2,3)15-4-5-16(25)24(22-15)12-13-6-8-23(9-7-13)17-20-10-14(19)11-21-17/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyPQTFMOBBJABDMS-UHFFFAOYSA-N
XLogP2.39
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-[[2-(Dimethylamino)pyrimidin-5-yl]methyl]-4-hydroxypiperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 92421973
2-[[4-Hydroxy-1-[(2-methylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 92443806
6-cyclopropyl-2-(2-oxo-2-(4-(pyrimidin-2-yl)piperazin-1-yl)ethyl)pyridazin-3(2H)-one
CID 122160613
[(3S)-3-(5-fluoro-3-methyl-4H-pyridin-3-yl)-3,4-dihydropyrazol-2-yl]-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methanone
CID 134517350
[1-(4-amino-5-fluoropyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3,4-dihydropyrazol-2-yl]methanone
CID 146251390
2-(3,3-Dimethylbutyl)-6-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyridazin-3-one
CID 164150740
6-[6-Oxo-6-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]hexan-2-yl]-2-(trifluoromethyl)pyridazin-3-one
CID 168798765
3-[3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]-3-oxopropyl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 169933216
3-[5,5-dimethyl-1-[3-oxo-3-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]propyl]piperidin-3-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 171648388
6-(3-((5-fluoropyrimidin-2-yl)oxy)piperidine-1-carbonyl)-2-methylpyridazin-3(2H)-one
CID 122258254
2-({1-[4-(Trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}methyl)-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126854329
2-{[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126854357

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126862316) is 6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(c3ncc(F)cn3)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is PQTFMOBBJABDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-18(2,3)15-4-5-16(25)24(22-15)12-13-6-8-23(9-7-13)17-20-10-14(19)11-21-17/h4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one has a molecular weight of 345.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).