N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H25F3N6O2 — CID 129232634

IUPACN-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC=C1CN(c2cc(C)no2)CC1[C@@H](C)Nc1nc2c(OCC3(C(F)(F)F)CC3)cccn2n1
InChIInChI=1S/C22H25F3N6O2/c1-13-10-30(18-9-14(2)29-33-18)11-16(13)15(3)26-20-27-19-17(5-4-8-31(19)28-20)32-12-21(6-7-21)22(23,24)25/h4-5,8-9,15-16H,1,6-7,10-12H2,2-3H3,(H,26,28)/t15-,16?/m1/s1
InChIKeyNYOPGOGVHAADEY-AAFJCEBUSA-N
MW462.48 g/mol
LogP4.24
Rot. Bonds7

About N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129232634) has the molecular formula C22H25F3N6O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129232634
Molecular FormulaC22H25F3N6O2
Molecular Weight462.48 g/mol
Exact Mass462.20
IUPAC NameN-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC=C1CN(c2cc(C)no2)CC1[C@@H](C)Nc1nc2c(OCC3(C(F)(F)F)CC3)cccn2n1
InChIInChI=1S/C22H25F3N6O2/c1-13-10-30(18-9-14(2)29-33-18)11-16(13)15(3)26-20-27-19-17(5-4-8-31(19)28-20)32-12-21(6-7-21)22(23,24)25/h4-5,8-9,15-16H,1,6-7,10-12H2,2-3H3,(H,26,28)/t15-,16?/m1/s1
InChIKeyNYOPGOGVHAADEY-AAFJCEBUSA-N
XLogP4.24
TPSA80.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
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-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[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-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129232634) is N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C=C1CN(c2cc(C)no2)CC1[C@@H](C)Nc1nc2c(OCC3(C(F)(F)F)CC3)cccn2n1.
What is the InChIKey of N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is NYOPGOGVHAADEY-AAFJCEBUSA-N. The full InChI is InChI=1S/C22H25F3N6O2/c1-13-10-30(18-9-14(2)29-33-18)11-16(13)15(3)26-20-27-19-17(5-4-8-31(19)28-20)32-12-21(6-7-21)22(23,24)25/h4-5,8-9,15-16H,1,6-7,10-12H2,2-3H3,(H,26,28)/t15-,16?/m1/s1.
What are the key properties of N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 462.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-methylidene-1-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-3-yl]ethyl]-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129232634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).