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

C18H18FN5O2 — CID 118471339

IUPAC(2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCOC(c3cc(C)nc4ncnn34)C2)c1
InChIInChI=1S/C18H18FN5O2/c1-11-3-4-14(19)13(7-11)17(25)23-5-6-26-16(9-23)15-8-12(2)22-18-20-10-21-24(15)18/h3-4,7-8,10,16H,5-6,9H2,1-2H3
InChIKeyTVUFPIKOVHEBPI-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.09
Rot. Bonds2

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

(2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118471339) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is (2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118471339
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name(2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1ccc(F)c(C(=O)N2CCOC(c3cc(C)nc4ncnn34)C2)c1
InChIInChI=1S/C18H18FN5O2/c1-11-3-4-14(19)13(7-11)17(25)23-5-6-26-16(9-23)15-8-12(2)22-18-20-10-21-24(15)18/h3-4,7-8,10,16H,5-6,9H2,1-2H3
InChIKeyTVUFPIKOVHEBPI-UHFFFAOYSA-N
XLogP2.09
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.09
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
CID 118479706
CID 118479706
(3-cyclopropyl-4-fluorophenyl)-[(5S)-3,3-difluoro-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118479752
Propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 162652675
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 238
CID 118471007
US11186582, Example 249
CID 118471023
US11186582, Example 248
CID 118471026

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118471339) is (2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1ccc(F)c(C(=O)N2CCOC(c3cc(C)nc4ncnn34)C2)c1.
What is the InChIKey of (2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is TVUFPIKOVHEBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-11-3-4-14(19)13(7-11)17(25)23-5-6-26-16(9-23)15-8-12(2)22-18-20-10-21-24(15)18/h3-4,7-8,10,16H,5-6,9H2,1-2H3.
What are the key properties of (2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone has a molecular weight of 355.37 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-5-methylphenyl)-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118471339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).