N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide

C20H20F3N5O — CID 89441550

IUPACN-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12)C1CCCN1
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)14-8-9-17-26-27-18(28(17)12-14)16(11-13-5-2-1-3-6-13)25-19(29)15-7-4-10-24-15/h1-3,5-6,8-9,12,15-16,24H,4,7,10-11H2,(H,25,29)/t15?,16-/m1/s1
InChIKeyGLXXDTCFURSNME-OEMAIJDKSA-N
MW403.41 g/mol
LogP2.90
Rot. Bonds5

About N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide

N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 89441550) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID89441550
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC NameN-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12)C1CCCN1
InChIInChI=1S/C20H20F3N5O/c21-20(22,23)14-8-9-17-26-27-18(28(17)12-14)16(11-13-5-2-1-3-6-13)25-19(29)15-7-4-10-24-15/h1-3,5-6,8-9,12,15-16,24H,4,7,10-11H2,(H,25,29)/t15?,16-/m1/s1
InChIKeyGLXXDTCFURSNME-OEMAIJDKSA-N
XLogP2.90
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-phenyl-1-piperidin-2-yl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]butan-1-one
CID 58431938
N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]piperidine-4-carboxamide
CID 58783871
(3S)-4-phenyl-1-piperidin-4-yl-3-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]butan-1-one
CID 58431910
N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
CID 119294903
tert-butyl N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]carbamate
CID 58431955
3-amino-3-methyl-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]butanamide
CID 58784011
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119836858
(2S)-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 23655920
6-amino-N-[(1R)-3-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propyl]pyridine-3-carboxamide
CID 58783624
3-phenyl-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 18223664
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]piperidine-2-carboxamide
CID 107860896

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide (CID 89441550) is N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide is O=C(N[C@H](Cc1ccccc1)c1nnc2ccc(C(F)(F)F)cn12)C1CCCN1.
What is the InChIKey of N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is GLXXDTCFURSNME-OEMAIJDKSA-N. The full InChI is InChI=1S/C20H20F3N5O/c21-20(22,23)14-8-9-17-26-27-18(28(17)12-14)16(11-13-5-2-1-3-6-13)25-19(29)15-7-4-10-24-15/h1-3,5-6,8-9,12,15-16,24H,4,7,10-11H2,(H,25,29)/t15?,16-/m1/s1.
What are the key properties of N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide?
N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-phenyl-1-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 89441550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).