N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C20H21F6N7O2 — CID 129233092

IUPACN-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC=CC(Nc1nc2c(OC(C)C(F)(F)F)ccc(C(F)(F)F)n2n1)C1CCN(c2nc(C)no2)C1
InChIInChI=1S/C20H21F6N7O2/c1-4-13(12-7-8-32(9-12)18-27-11(3)31-35-18)28-17-29-16-14(34-10(2)19(21,22)23)5-6-15(20(24,25)26)33(16)30-17/h4-6,10,12-13H,1,7-9H2,2-3H3,(H,28,30)
InChIKeyBPQNBHPULPJFAR-UHFFFAOYSA-N
MW505.42 g/mol
LogP4.26
Rot. Bonds7

About N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 129233092) has the molecular formula C20H21F6N7O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID129233092
Molecular FormulaC20H21F6N7O2
Molecular Weight505.42 g/mol
Exact Mass505.17
IUPAC NameN-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESC=CC(Nc1nc2c(OC(C)C(F)(F)F)ccc(C(F)(F)F)n2n1)C1CCN(c2nc(C)no2)C1
InChIInChI=1S/C20H21F6N7O2/c1-4-13(12-7-8-32(9-12)18-27-11(3)31-35-18)28-17-29-16-14(34-10(2)19(21,22)23)5-6-15(20(24,25)26)33(16)30-17/h4-6,10,12-13H,1,7-9H2,2-3H3,(H,28,30)
InChIKeyBPQNBHPULPJFAR-UHFFFAOYSA-N
XLogP4.26
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 129233092) is N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is C=CC(Nc1nc2c(OC(C)C(F)(F)F)ccc(C(F)(F)F)n2n1)C1CCN(c2nc(C)no2)C1.
What is the InChIKey of N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is BPQNBHPULPJFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N7O2/c1-4-13(12-7-8-32(9-12)18-27-11(3)31-35-18)28-17-29-16-14(34-10(2)19(21,22)23)5-6-15(20(24,25)26)33(16)30-17/h4-6,10,12-13H,1,7-9H2,2-3H3,(H,28,30).
What are the key properties of N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 505.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]prop-2-enyl]-5-(trifluoromethyl)-8-(1,1,1-trifluoropropan-2-yloxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 129233092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).