6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one

C23H21FN6O3 — CID 163768398

IUPAC6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one
SMILESCn1c(N2CCO[C@@H](Cc3ccc(-c4ncon4)cc3)C2)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C23H21FN6O3/c1-29-21(31)11-20(18-6-7-25-12-19(18)24)27-23(29)30-8-9-32-17(13-30)10-15-2-4-16(5-3-15)22-26-14-33-28-22/h2-7,11-12,14,17H,8-10,13H2,1H3/t17-/m0/s1
InChIKeyMEIJMTGWXUBGBQ-KRWDZBQOSA-N
MW448.46 g/mol
LogP2.48
Rot. Bonds5

About 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one

6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one (PubChem CID 163768398) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one
PubChem CID163768398
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one
SMILESCn1c(N2CCO[C@@H](Cc3ccc(-c4ncon4)cc3)C2)nc(-c2ccncc2F)cc1=O
InChIInChI=1S/C23H21FN6O3/c1-29-21(31)11-20(18-6-7-25-12-19(18)24)27-23(29)30-8-9-32-17(13-30)10-15-2-4-16(5-3-15)22-26-14-33-28-22/h2-7,11-12,14,17H,8-10,13H2,1H3/t17-/m0/s1
InChIKeyMEIJMTGWXUBGBQ-KRWDZBQOSA-N
XLogP2.48
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one?
The IUPAC name of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one (CID 163768398) is 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one?
The canonical SMILES for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one is Cn1c(N2CCO[C@@H](Cc3ccc(-c4ncon4)cc3)C2)nc(-c2ccncc2F)cc1=O.
What is the InChIKey of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one?
The InChIKey is MEIJMTGWXUBGBQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-29-21(31)11-20(18-6-7-25-12-19(18)24)27-23(29)30-8-9-32-17(13-30)10-15-2-4-16(5-3-15)22-26-14-33-28-22/h2-7,11-12,14,17H,8-10,13H2,1H3/t17-/m0/s1.
What are the key properties of 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one?
6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one has a molecular weight of 448.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(2S)-2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]pyrimidin-4-one is sourced from PubChem (CID 163768398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).