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

C18H24FN5O — CID 126862586

IUPAC6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(c3ncncc3F)CC2)n1
InChIInChI=1S/C18H24FN5O/c1-18(2,3)15-4-5-16(25)24(22-15)11-13-6-8-23(9-7-13)17-14(19)10-20-12-21-17/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyIODZRLIYILVIFR-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.39
Rot. Bonds3

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

6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one (PubChem CID 126862586) 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-4-yl)piperidin-4-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
PubChem CID126862586
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(CC2CCN(c3ncncc3F)CC2)n1
InChIInChI=1S/C18H24FN5O/c1-18(2,3)15-4-5-16(25)24(22-15)11-13-6-8-23(9-7-13)17-14(19)10-20-12-21-17/h4-5,10,12-13H,6-9,11H2,1-3H3
InChIKeyIODZRLIYILVIFR-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
2-{[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl}-6-(1H-1,2,4-triazol-1-yl)-2,3-dihydropyridazin-3-one
CID 126863339
[(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-{[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-6-methyl-2,3-dihydropyridazin-3-one
CID 126854357
6-Methyl-2-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126854359
6-Cyclopropyl-2-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126855743
6-Tert-butyl-2-{[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862316
6-Tert-butyl-2-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126862320
6-Tert-butyl-2-({1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126862378
2-{[1-(5-Fluoropyrimidin-2-yl)piperidin-4-yl]methyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
CID 126862790

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one (CID 126862586) is 6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one is CC(C)(C)c1ccc(=O)n(CC2CCN(c3ncncc3F)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
The InChIKey is IODZRLIYILVIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O/c1-18(2,3)15-4-5-16(25)24(22-15)11-13-6-8-23(9-7-13)17-14(19)10-20-12-21-17/h4-5,10,12-13H,6-9,11H2,1-3H3.
What are the key properties of 6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-yl)piperidin-4-yl]methyl]pyridazin-3-one?
6-tert-butyl-2-[[1-(5-fluoropyrimidin-4-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-4-yl)piperidin-4-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126862586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).