N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H28F3N7O2 — CID 138729305

IUPACN-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(C(C)C)ccc(O[C@@H](C)C(F)(F)F)n3n2)o1
InChIInChI=1S/C22H28F3N7O2/c1-11(2)16-7-8-17(33-12(3)22(23,24)25)32-19(16)27-20(30-32)26-18-14-5-6-15(18)10-31(9-14)21-29-28-13(4)34-21/h7-8,11-12,14-15,18H,5-6,9-10H2,1-4H3,(H,26,30)/t12-,14-,15+,18?/m0/s1
InChIKeyATDKIETYQIYVQA-YBVBUHPZSA-N
MW479.51 g/mol
LogP4.20
Rot. Bonds6

About N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 138729305) has the molecular formula C22H28F3N7O2 and a molecular weight of 479.51 g/mol. Its IUPAC name is N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID138729305
Molecular FormulaC22H28F3N7O2
Molecular Weight479.51 g/mol
Exact Mass479.23
IUPAC NameN-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nnc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(C(C)C)ccc(O[C@@H](C)C(F)(F)F)n3n2)o1
InChIInChI=1S/C22H28F3N7O2/c1-11(2)16-7-8-17(33-12(3)22(23,24)25)32-19(16)27-20(30-32)26-18-14-5-6-15(18)10-31(9-14)21-29-28-13(4)34-21/h7-8,11-12,14-15,18H,5-6,9-10H2,1-4H3,(H,26,30)/t12-,14-,15+,18?/m0/s1
InChIKeyATDKIETYQIYVQA-YBVBUHPZSA-N
XLogP4.20
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 138729305) is N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nnc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(C(C)C)ccc(O[C@@H](C)C(F)(F)F)n3n2)o1.
What is the InChIKey of N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is ATDKIETYQIYVQA-YBVBUHPZSA-N. The full InChI is InChI=1S/C22H28F3N7O2/c1-11(2)16-7-8-17(33-12(3)22(23,24)25)32-19(16)27-20(30-32)26-18-14-5-6-15(18)10-31(9-14)21-29-28-13(4)34-21/h7-8,11-12,14-15,18H,5-6,9-10H2,1-4H3,(H,26,30)/t12-,14-,15+,18?/m0/s1.
What are the key properties of N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 479.51 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-propan-2-yl-5-[(2S)-1,1,1-trifluoropropan-2-yl]oxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 138729305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).