(4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

C17H16FN5O2 — CID 118472480

IUPAC(4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(F)cc3)CCO2)n2ncnc2n1
InChIInChI=1S/C17H16FN5O2/c1-11-8-14(23-17(21-11)19-10-20-23)15-9-22(6-7-25-15)16(24)12-2-4-13(18)5-3-12/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyVCWYFTAXUXOSHD-UHFFFAOYSA-N
MW341.35 g/mol
LogP1.79
Rot. Bonds2

About (4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

(4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118472480) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118472480
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name(4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(C2CN(C(=O)c3ccc(F)cc3)CCO2)n2ncnc2n1
InChIInChI=1S/C17H16FN5O2/c1-11-8-14(23-17(21-11)19-10-20-23)15-9-22(6-7-25-15)16(24)12-2-4-13(18)5-3-12/h2-5,8,10,15H,6-7,9H2,1H3
InChIKeyVCWYFTAXUXOSHD-UHFFFAOYSA-N
XLogP1.79
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-bromo-4-(trifluoromethyl)phenyl]-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 118479616
(4-Fluoro-3-methylphenyl)-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118471525
[3,3-Difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 118471813
[3,3-Difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 126615644
US9873709, Example 2-154
CID 117950847
Ethyl 3-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}benzoate
CID 3240080
(3-methoxyphenyl)-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 162659240
4,5,6,7-tetrahydro-1-benzothiophen-2-yl-[(2S)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
CID 162674443
US11186582, Example 415
CID 118470944
US11186582, Example 256
CID 118470982
US11186582, Example 249
CID 118471023
US11186582, Example 248
CID 118471026

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118472480) is (4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(C2CN(C(=O)c3ccc(F)cc3)CCO2)n2ncnc2n1.
What is the InChIKey of (4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is VCWYFTAXUXOSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-11-8-14(23-17(21-11)19-10-20-23)15-9-22(6-7-25-15)16(24)12-2-4-13(18)5-3-12/h2-5,8,10,15H,6-7,9H2,1H3.
What are the key properties of (4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 341.35 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118472480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).