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

C18H18FN5O2 — CID 118479747

IUPAC(3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(F)cc(C(=O)N2CCO[C@H](c3cc(C)nc4ncnn34)C2)c1
InChIInChI=1S/C18H18FN5O2/c1-11-5-13(8-14(19)6-11)17(25)23-3-4-26-16(9-23)15-7-12(2)22-18-20-10-21-24(15)18/h5-8,10,16H,3-4,9H2,1-2H3/t16-/m0/s1
InChIKeyNKQORAPFFMSHKL-INIZCTEOSA-N
MW355.37 g/mol
LogP2.09
Rot. Bonds2

About (3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone

(3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (PubChem CID 118479747) has the molecular formula C18H18FN5O2 and a molecular weight of 355.37 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
PubChem CID118479747
Molecular FormulaC18H18FN5O2
Molecular Weight355.37 g/mol
Exact Mass355.14
IUPAC Name(3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone
SMILESCc1cc(F)cc(C(=O)N2CCO[C@H](c3cc(C)nc4ncnn34)C2)c1
InChIInChI=1S/C18H18FN5O2/c1-11-5-13(8-14(19)6-11)17(25)23-3-4-26-16(9-23)15-7-12(2)22-18-20-10-21-24(15)18/h5-8,10,16H,3-4,9H2,1-2H3/t16-/m0/s1
InChIKeyNKQORAPFFMSHKL-INIZCTEOSA-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
CID 118479706
CID 118479706
Propan-2-yl 1-(3-methylbenzoyl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 162652675
US11186582, Example 415
CID 118470944
US11186582, Example 256
CID 118470982
US11186582, Example 238
CID 118471007
US11186582, Example 248
CID 118471026
US11186582, Example 536
CID 118471039
US11186582, Example 303
CID 118471084
US11186582, Example 559
CID 118471111
US11186582, Example 237
CID 118471127

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone (CID 118479747) is (3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is Cc1cc(F)cc(C(=O)N2CCO[C@H](c3cc(C)nc4ncnn34)C2)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
The InChIKey is NKQORAPFFMSHKL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18FN5O2/c1-11-5-13(8-14(19)6-11)17(25)23-3-4-26-16(9-23)15-7-12(2)22-18-20-10-21-24(15)18/h5-8,10,16H,3-4,9H2,1-2H3/t16-/m0/s1.
What are the key properties of (3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone?
(3-fluoro-5-methylphenyl)-[(2S)-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 (3-fluoro-5-methylphenyl)-[(2S)-2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 118479747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).