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

C23H25F3N6O2 — CID 129232631

IUPACN-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC/C=C1\C2CN(c3cc(C)no3)C[C@H]2[C@@H]1Nc1nc2c(OCC3(C(F)(F)F)CC3)cccn2n1
InChIInChI=1S/C23H25F3N6O2/c1-3-14-15-10-31(18-9-13(2)30-34-18)11-16(15)19(14)27-21-28-20-17(5-4-8-32(20)29-21)33-12-22(6-7-22)23(24,25)26/h3-5,8-9,15-16,19H,6-7,10-12H2,1-2H3,(H,27,29)/b14-3+/t15?,16-,19-/m1/s1
InChIKeyIFXTYESCFJSWEQ-DQKZOVOLSA-N
MW474.49 g/mol
LogP4.24
Rot. Bonds6

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-(trifluoromethyl)cyclopropyl]methoxy]-[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-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129232631) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 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-(trifluoromethyl)cyclopropyl]methoxy]-[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-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129232631
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
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-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC/C=C1\C2CN(c3cc(C)no3)C[C@H]2[C@@H]1Nc1nc2c(OCC3(C(F)(F)F)CC3)cccn2n1
InChIInChI=1S/C23H25F3N6O2/c1-3-14-15-10-31(18-9-13(2)30-34-18)11-16(15)19(14)27-21-28-20-17(5-4-8-32(20)29-21)33-12-22(6-7-22)23(24,25)26/h3-5,8-9,15-16,19H,6-7,10-12H2,1-2H3,(H,27,29)/b14-3+/t15?,16-,19-/m1/s1
InChIKeyIFXTYESCFJSWEQ-DQKZOVOLSA-N
XLogP4.24
TPSA80.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.24
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-(trifluoromethyl)cyclopropyl]methoxy]-[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-[(5S,6S,7E)-7-ethylidene-3-(3-methyl-1,2-oxazol-5-yl)-3-azabicyclo[3.2.0]heptan-6-yl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[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-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129232631) 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-(trifluoromethyl)cyclopropyl]methoxy]-[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-(trifluoromethyl)cyclopropyl]methoxy]-[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-(trifluoromethyl)cyclopropyl]methoxy]-[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(OCC3(C(F)(F)F)CC3)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-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IFXTYESCFJSWEQ-DQKZOVOLSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-3-14-15-10-31(18-9-13(2)30-34-18)11-16(15)19(14)27-21-28-20-17(5-4-8-32(20)29-21)33-12-22(6-7-22)23(24,25)26/h3-5,8-9,15-16,19H,6-7,10-12H2,1-2H3,(H,27,29)/b14-3+/t15?,16-,19-/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-(trifluoromethyl)cyclopropyl]methoxy]-[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-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 474.49 g/mol, XLogP of 4.24, 6 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-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129232631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).