(3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide

C21H21F3N6O2 — CID 92579258

IUPAC(3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@H](C(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn34)cc2)CC1=O
InChIInChI=1S/C21H21F3N6O2/c1-12(2)29-11-15(9-17(29)31)18(32)26-10-13-3-5-14(6-4-13)16-7-8-25-20-27-19(21(22,23)24)28-30(16)20/h3-8,12,15H,9-11H2,1-2H3,(H,26,32)/t15-/m1/s1
InChIKeyKRQVXQLGDVTAKW-OAHLLOKOSA-N
MW446.43 g/mol
LogP2.68
Rot. Bonds5

About (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide

(3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 92579258) has the molecular formula C21H21F3N6O2 and a molecular weight of 446.43 g/mol. Its IUPAC name is (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID92579258
Molecular FormulaC21H21F3N6O2
Molecular Weight446.43 g/mol
Exact Mass446.17
IUPAC Name(3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@H](C(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn34)cc2)CC1=O
InChIInChI=1S/C21H21F3N6O2/c1-12(2)29-11-15(9-17(29)31)18(32)26-10-13-3-5-14(6-4-13)16-7-8-25-20-27-19(21(22,23)24)28-30(16)20/h3-8,12,15H,9-11H2,1-2H3,(H,26,32)/t15-/m1/s1
InChIKeyKRQVXQLGDVTAKW-OAHLLOKOSA-N
XLogP2.68
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 110218944
2-[(3R)-5,5-dimethyl-2-oxooxolan-3-yl]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
CID 95851402
2-[[(2R)-oxan-2-yl]methoxy]-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]acetamide
CID 92570131
(3R)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 36885410
(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9365066
5-oxo-1-propan-2-yl-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108770960
N-(cyclohexen-1-ylmethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 70713492
(3S)-N-[2-(4-fluorophenyl)ethyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401620
(3R)-N-benzyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365043
1-cyclohexyl-5-oxo-N-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 136546576
5-oxo-1-propan-2-yl-N-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17119826
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17081114

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide (CID 92579258) is (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide is CC(C)N1C[C@H](C(=O)NCc2ccc(-c3ccnc4nc(C(F)(F)F)nn34)cc2)CC1=O.
What is the InChIKey of (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is KRQVXQLGDVTAKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H21F3N6O2/c1-12(2)29-11-15(9-17(29)31)18(32)26-10-13-3-5-14(6-4-13)16-7-8-25-20-27-19(21(22,23)24)28-30(16)20/h3-8,12,15H,9-11H2,1-2H3,(H,26,32)/t15-/m1/s1.
What are the key properties of (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 446.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-propan-2-yl-N-[[4-[2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92579258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).