2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

C20H23F3N6O2 — CID 34672495

IUPAC2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C20H23F3N6O2/c1-12-14(13(2)29-19(25-12)26-18(27-29)20(21,22)23)10-17(30)24-11-15(16-6-5-9-31-16)28-7-3-4-8-28/h5-6,9,15H,3-4,7-8,10-11H2,1-2H3,(H,24,30)/t15-/m0/s1
InChIKeyPAHPPURGXCMPJB-HNNXBMFYSA-N
MW436.44 g/mol
LogP2.85
Rot. Bonds6

About 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide

2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (PubChem CID 34672495) has the molecular formula C20H23F3N6O2 and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
PubChem CID34672495
Molecular FormulaC20H23F3N6O2
Molecular Weight436.44 g/mol
Exact Mass436.18
IUPAC Name2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
SMILESCc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@@H](c1ccco1)N1CCCC1
InChIInChI=1S/C20H23F3N6O2/c1-12-14(13(2)29-19(25-12)26-18(27-29)20(21,22)23)10-17(30)24-11-15(16-6-5-9-31-16)28-7-3-4-8-28/h5-6,9,15H,3-4,7-8,10-11H2,1-2H3,(H,24,30)/t15-/m0/s1
InChIKeyPAHPPURGXCMPJB-HNNXBMFYSA-N
XLogP2.85
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide with MolForge

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Related Compounds

3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24624856
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[1-(furan-2-yl)ethyl]propanamide
CID 17483724
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 55582051
2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 40750980
3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 60551820
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 2532711
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95237805
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)acetamide
CID 24640484
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-cycloheptyl-2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 16620852

Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide (CID 34672495) is 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)NC[C@@H](c1ccco1)N1CCCC1.
What is the InChIKey of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
The InChIKey is PAHPPURGXCMPJB-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23F3N6O2/c1-12-14(13(2)29-19(25-12)26-18(27-29)20(21,22)23)10-17(30)24-11-15(16-6-5-9-31-16)28-7-3-4-8-28/h5-6,9,15H,3-4,7-8,10-11H2,1-2H3,(H,24,30)/t15-/m0/s1.
What are the key properties of 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide?
2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide has a molecular weight of 436.44 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide is sourced from PubChem (CID 34672495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).