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

C15H18FN5O — CID 126854357

IUPAC2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C15H18FN5O/c1-11-2-3-14(22)21(19-11)10-12-4-6-20(7-5-12)15-17-8-13(16)9-18-15/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyJXDQQZIUNJLWGN-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.40
Rot. Bonds3

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

2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (PubChem CID 126854357) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
PubChem CID126854357
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC2CCN(c3ncc(F)cn3)CC2)n1
InChIInChI=1S/C15H18FN5O/c1-11-2-3-14(22)21(19-11)10-12-4-6-20(7-5-12)15-17-8-13(16)9-18-15/h2-3,8-9,12H,4-7,10H2,1H3
InChIKeyJXDQQZIUNJLWGN-UHFFFAOYSA-N
XLogP1.40
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.40
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
[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
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
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
6-Methyl-2-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}methyl)-2,3-dihydropyridazin-3-one
CID 126854359
2-({1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl}methyl)-2H,3H,5H,6H,7H-cyclopenta[c]pyridazin-3-one
CID 126855734
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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one (CID 126854357) is 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC2CCN(c3ncc(F)cn3)CC2)n1.
What is the InChIKey of 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
The InChIKey is JXDQQZIUNJLWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-11-2-3-14(22)21(19-11)10-12-4-6-20(7-5-12)15-17-8-13(16)9-18-15/h2-3,8-9,12H,4-7,10H2,1H3.
What are the key properties of 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one?
2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one has a molecular weight of 303.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126854357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).