5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine

C17H14F2N8O — CID 162722719

IUPAC5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine
SMILESC[C@@H](c1ccc(-c2nnc(C(F)F)o2)cn1)n1cc(-c2ccc(N)nc2)nn1
InChIInChI=1S/C17H14F2N8O/c1-9(27-8-13(23-26-27)10-3-5-14(20)22-6-10)12-4-2-11(7-21-12)16-24-25-17(28-16)15(18)19/h2-9,15H,1H3,(H2,20,22)/t9-/m0/s1
InChIKeyHCSISELBXLMKGH-VIFPVBQESA-N
MW384.35 g/mol
LogP2.91
Rot. Bonds5

About 5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine

5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine (PubChem CID 162722719) has the molecular formula C17H14F2N8O and a molecular weight of 384.35 g/mol. Its IUPAC name is 5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine
PubChem CID162722719
Molecular FormulaC17H14F2N8O
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine
SMILESC[C@@H](c1ccc(-c2nnc(C(F)F)o2)cn1)n1cc(-c2ccc(N)nc2)nn1
InChIInChI=1S/C17H14F2N8O/c1-9(27-8-13(23-26-27)10-3-5-14(20)22-6-10)12-4-2-11(7-21-12)16-24-25-17(28-16)15(18)19/h2-9,15H,1H3,(H2,20,22)/t9-/m0/s1
InChIKeyHCSISELBXLMKGH-VIFPVBQESA-N
XLogP2.91
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-Tert-Butyl-1-(1-{5-[5-(Trifluoromethyl)-1,3,4-Oxadiazol-2-Yl]pyridin-2-Yl}piperidin-4-Yl)-1h-Imidazole-5-Carboxamide
CID 121487936
N-(tert-butyl)-1-(1-(5-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)piperidin-4-yl)-1H-imidazole-5-carboxamide
CID 134612039
5-[1-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721876
5-(1-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)-2,3-difluorobenzyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721884
5-[1-[[2-Chloro-4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]triazol-4-yl]pyridin-2-amine
CID 162721900
N-[(3R)-3-[4-(6-amino-3-pyridinyl)triazol-1-yl]-3-[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]propyl]methanesulfonamide
CID 162721924
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)-1-methyl-1H-benzo[d]imidazol-2-amine
CID 162721925
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyridin-2-amine
CID 162721935
2-(4-(6-aminopyridin-3-yl)-1H-1,2,3-triazol-1-yl)-2-(4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)phenyl)ethan-1-ol
CID 162721944
6-[1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]triazol-4-yl]-N-methylquinolin-2-amine
CID 162722000
5-[1-[1-[4-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluorophenyl]ethyl]triazol-4-yl]pyridin-2-amine
CID 162722011
2-(Difluoromethyl)-5-[6-[(4-imidazo[1,2-b]pyridazin-3-yltriazol-1-yl)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 162722076

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine?
The IUPAC name of 5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine (CID 162722719) is 5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine?
The canonical SMILES for 5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine is C[C@@H](c1ccc(-c2nnc(C(F)F)o2)cn1)n1cc(-c2ccc(N)nc2)nn1.
What is the InChIKey of 5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine?
The InChIKey is HCSISELBXLMKGH-VIFPVBQESA-N. The full InChI is InChI=1S/C17H14F2N8O/c1-9(27-8-13(23-26-27)10-3-5-14(20)22-6-10)12-4-2-11(7-21-12)16-24-25-17(28-16)15(18)19/h2-9,15H,1H3,(H2,20,22)/t9-/m0/s1.
What are the key properties of 5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine?
5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine has a molecular weight of 384.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1S)-1-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]ethyl]triazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 162722719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).