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

C19H20FN5O2 — CID 99949308

IUPAC[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)nc2ncnn12
InChIInChI=1S/C19H20FN5O2/c1-12(2)16-9-15(23-19-21-11-22-25(16)19)18(26)24-7-8-27-17(10-24)13-3-5-14(20)6-4-13/h3-6,9,11-12,17H,7-8,10H2,1-2H3/t17-/m0/s1
InChIKeyHHSGRYJHIGWGHA-KRWDZBQOSA-N
MW369.40 g/mol
LogP2.60
Rot. Bonds3

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

[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone (PubChem CID 99949308) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
PubChem CID99949308
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)nc2ncnn12
InChIInChI=1S/C19H20FN5O2/c1-12(2)16-9-15(23-19-21-11-22-25(16)19)18(26)24-7-8-27-17(10-24)13-3-5-14(20)6-4-13/h3-6,9,11-12,17H,7-8,10H2,1-2H3/t17-/m0/s1
InChIKeyHHSGRYJHIGWGHA-KRWDZBQOSA-N
XLogP2.60
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-(4-fluorophenyl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 97123200
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-(4-propan-2-ylpyrimidin-5-yl)methanone
CID 95580110
1,3-dihydroisoindol-2-yl-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72844137
8-methyl-2-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50948165
[2-(4-fluorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70743890
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 97285251
[2-(4-fluorophenyl)morpholin-4-yl]-(2-phenyltriazol-4-yl)methanone
CID 134044299
(3-aminopyrazin-2-yl)-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methanone
CID 38374250
2-bromo-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 107904527
methyl (2S)-2-(4-fluorophenyl)morpholine-4-carboxylate
CID 67353366
[4-(5-methylpyrimidin-4-yl)piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 118787753
(2R)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119112319

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The IUPAC name of [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone (CID 99949308) is [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The canonical SMILES for [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone is CC(C)c1cc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)nc2ncnn12.
What is the InChIKey of [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
The InChIKey is HHSGRYJHIGWGHA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-12(2)16-9-15(23-19-21-11-22-25(16)19)18(26)24-7-8-27-17(10-24)13-3-5-14(20)6-4-13/h3-6,9,11-12,17H,7-8,10H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone?
[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone has a molecular weight of 369.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-fluorophenyl)morpholin-4-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone is sourced from PubChem (CID 99949308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).