2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C23H23FN4O2 — CID 137262921

IUPAC2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N3CCC(C(=O)c4ccc(F)cc4)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C23H23FN4O2/c1-14-15(2)26-22(27-23(14)30)18-5-8-20(25-13-18)28-11-9-17(10-12-28)21(29)16-3-6-19(24)7-4-16/h3-8,13,17H,9-12H2,1-2H3,(H,26,27,30)
InChIKeyINGLQWBDPQONMH-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.69
Rot. Bonds4

About 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 137262921) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID137262921
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccc(N3CCC(C(=O)c4ccc(F)cc4)CC3)nc2)[nH]c(=O)c1C
InChIInChI=1S/C23H23FN4O2/c1-14-15(2)26-22(27-23(14)30)18-5-8-20(25-13-18)28-11-9-17(10-12-28)21(29)16-3-6-19(24)7-4-16/h3-8,13,17H,9-12H2,1-2H3,(H,26,27,30)
InChIKeyINGLQWBDPQONMH-UHFFFAOYSA-N
XLogP3.69
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 137275001
1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 137273736
4,5-dimethyl-2-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137273768
2-[6-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137263133
N-[1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropanamide
CID 137263125
N-(5-chloro-2-pyridinyl)-1-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 137268111
N-[2-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-3,4-dihydro-1H-isoquinolin-5-yl]acetamide
CID 137268114
2-methylpropyl 4-[5-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 137257691
2-[6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137257707
2-[6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273746
2-[6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137273596
4,5-dimethyl-2-[6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]-1H-pyrimidin-6-one
CID 137257490

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 137262921) is 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(-c2ccc(N3CCC(C(=O)c4ccc(F)cc4)CC3)nc2)[nH]c(=O)c1C.
What is the InChIKey of 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is INGLQWBDPQONMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-14-15(2)26-22(27-23(14)30)18-5-8-20(25-13-18)28-11-9-17(10-12-28)21(29)16-3-6-19(24)7-4-16/h3-8,13,17H,9-12H2,1-2H3,(H,26,27,30).
What are the key properties of 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 406.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137262921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).