N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C24H24F3N5O2 — CID 138693503

IUPACN-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3c(C(C)C)ccc(OCC(F)(F)F)n3n2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C24H24F3N5O2/c1-14(2)18-7-8-21(34-13-24(25,26)27)32-22(18)30-23(31-32)29-17-5-6-19(20(12-17)33-4)16-9-10-28-15(3)11-16/h5-12,14H,13H2,1-4H3,(H,29,31)
InChIKeyIRYZVZCQYAJCFN-UHFFFAOYSA-N
MW471.48 g/mol
LogP5.92
Rot. Bonds7

About N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine

N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 138693503) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID138693503
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3c(C(C)C)ccc(OCC(F)(F)F)n3n2)ccc1-c1ccnc(C)c1
InChIInChI=1S/C24H24F3N5O2/c1-14(2)18-7-8-21(34-13-24(25,26)27)32-22(18)30-23(31-32)29-17-5-6-19(20(12-17)33-4)16-9-10-28-15(3)11-16/h5-12,14H,13H2,1-4H3,(H,29,31)
InChIKeyIRYZVZCQYAJCFN-UHFFFAOYSA-N
XLogP5.92
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

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CID 24795070
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CID 6539389
CID 6539389
CID 6539375
CID 6539375
CID 6539385
CID 6539385
CID 135284803
CID 135284803
CID 155126886
CID 155126886
CID 155128494
CID 155128494
CID 6539384
CID 6539384
CID 6539395
CID 6539395
CID 6539449
CID 6539449

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 138693503) is N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(Nc2nc3c(C(C)C)ccc(OCC(F)(F)F)n3n2)ccc1-c1ccnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is IRYZVZCQYAJCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-14(2)18-7-8-21(34-13-24(25,26)27)32-22(18)30-23(31-32)29-17-5-6-19(20(12-17)33-4)16-9-10-28-15(3)11-16/h5-12,14H,13H2,1-4H3,(H,29,31).
What are the key properties of N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 471.48 g/mol, XLogP of 5.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-methyl-4-pyridinyl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 138693503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).