N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C21H23F3N6O2 — CID 129232172

IUPACN-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC/C=C1\C2CN(c3cc(C)no3)C[C@H]2[C@@H]1Nc1nc2c(OC(C)C(F)(F)F)cccn2n1
InChIInChI=1S/C21H23F3N6O2/c1-4-13-14-9-29(17-8-11(2)28-32-17)10-15(14)18(13)25-20-26-19-16(6-5-7-30(19)27-20)31-12(3)21(22,23)24/h4-8,12,14-15,18H,9-10H2,1-3H3,(H,25,27)/b13-4+/t12?,14?,15-,18-/m1/s1
InChIKeyFSXSQWGXIKKYFG-GOVWNNCLSA-N
MW448.45 g/mol
LogP3.85
Rot. Bonds5

About N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129232172) has the molecular formula C21H23F3N6O2 and a molecular weight of 448.45 g/mol. Its IUPAC name is N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129232172
Molecular FormulaC21H23F3N6O2
Molecular Weight448.45 g/mol
Exact Mass448.18
IUPAC NameN-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC/C=C1\C2CN(c3cc(C)no3)C[C@H]2[C@@H]1Nc1nc2c(OC(C)C(F)(F)F)cccn2n1
InChIInChI=1S/C21H23F3N6O2/c1-4-13-14-9-29(17-8-11(2)28-32-17)10-15(14)18(13)25-20-26-19-16(6-5-7-30(19)27-20)31-12(3)21(22,23)24/h4-8,12,14-15,18H,9-10H2,1-3H3,(H,25,27)/b13-4+/t12?,14?,15-,18-/m1/s1
InChIKeyFSXSQWGXIKKYFG-GOVWNNCLSA-N
XLogP3.85
TPSA80.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129232172) is N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C/C=C1\C2CN(c3cc(C)no3)C[C@H]2[C@@H]1Nc1nc2c(OC(C)C(F)(F)F)cccn2n1.
What is the InChIKey of N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is FSXSQWGXIKKYFG-GOVWNNCLSA-N. The full InChI is InChI=1S/C21H23F3N6O2/c1-4-13-14-9-29(17-8-11(2)28-32-17)10-15(14)18(13)25-20-26-19-16(6-5-7-30(19)27-20)31-12(3)21(22,23)24/h4-8,12,14-15,18H,9-10H2,1-3H3,(H,25,27)/b13-4+/t12?,14?,15-,18-/m1/s1.
What are the key properties of N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 448.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129232172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).