5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one

C24H22FN5O3 — CID 155950373

IUPAC5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C24H22FN5O3/c1-14-19(24(32)28-23(27-14)16-4-8-26-9-5-16)13-21(31)30-10-6-15(7-11-30)22-18-3-2-17(25)12-20(18)33-29-22/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,27,28,32)
InChIKeyGOGRQBIEEOPVMU-UHFFFAOYSA-N
MW447.47 g/mol
LogP3.37
Rot. Bonds4

About 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one

5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 155950373) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID155950373
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C24H22FN5O3/c1-14-19(24(32)28-23(27-14)16-4-8-26-9-5-16)13-21(31)30-10-6-15(7-11-30)22-18-3-2-17(25)12-20(18)33-29-22/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,27,28,32)
InChIKeyGOGRQBIEEOPVMU-UHFFFAOYSA-N
XLogP3.37
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
CID 71708698
4-methyl-5-[2-oxo-2-(4-thiophen-3-ylpiperidin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136533215
5-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 45495525
5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridin-2-one
CID 136543696
(3R)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92581702
1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 137010231
(Z)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enedioic acid
CID 67070819
1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 127267392
4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136816093
4-(6-fluoro-1,2-benzoxazol-3-yl)-N-[6-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]amino]hexyl]piperidine-1-carboxamide
CID 59651081
3-(1-chloropiperidin-4-yl)-6-fluoro-1,2-benzoxazole
CID 89080294
5-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137079245

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 155950373) is 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one is Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCC(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is GOGRQBIEEOPVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-14-19(24(32)28-23(27-14)16-4-8-26-9-5-16)13-21(31)30-10-6-15(7-11-30)22-18-3-2-17(25)12-20(18)33-29-22/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,27,28,32).
What are the key properties of 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 447.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 155950373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).