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

C20H21F5N6O2 — CID 129232828

IUPACN-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCC(F)(F)C(F)(F)F)cccn3n2)on1
InChIInChI=1S/C20H21F5N6O2/c1-11-7-15(33-29-11)30-8-12-4-5-13(9-30)16(12)26-18-27-17-14(3-2-6-31(17)28-18)32-10-19(21,22)20(23,24)25/h2-3,6-7,12-13,16H,4-5,8-10H2,1H3,(H,26,28)/t12-,13+,16?
InChIKeyIRINTXPZAZNXNO-OCZCAGDBSA-N
MW472.42 g/mol
LogP3.93
Rot. Bonds6

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

N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129232828) has the molecular formula C20H21F5N6O2 and a molecular weight of 472.42 g/mol. Its IUPAC name is N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129232828
Molecular FormulaC20H21F5N6O2
Molecular Weight472.42 g/mol
Exact Mass472.16
IUPAC NameN-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCC(F)(F)C(F)(F)F)cccn3n2)on1
InChIInChI=1S/C20H21F5N6O2/c1-11-7-15(33-29-11)30-8-12-4-5-13(9-30)16(12)26-18-27-17-14(3-2-6-31(17)28-18)32-10-19(21,22)20(23,24)25/h2-3,6-7,12-13,16H,4-5,8-10H2,1H3,(H,26,28)/t12-,13+,16?
InChIKeyIRINTXPZAZNXNO-OCZCAGDBSA-N
XLogP3.93
TPSA80.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129232828) is N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1cc(N2C[C@H]3CC[C@@H](C2)C3Nc2nc3c(OCC(F)(F)C(F)(F)F)cccn3n2)on1.
What is the InChIKey of N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IRINTXPZAZNXNO-OCZCAGDBSA-N. The full InChI is InChI=1S/C20H21F5N6O2/c1-11-7-15(33-29-11)30-8-12-4-5-13(9-30)16(12)26-18-27-17-14(3-2-6-31(17)28-18)32-10-19(21,22)20(23,24)25/h2-3,6-7,12-13,16H,4-5,8-10H2,1H3,(H,26,28)/t12-,13+,16?.
What are the key properties of N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 472.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.1]octan-8-yl]-8-(2,2,3,3,3-pentafluoropropoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129232828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).