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

C21H22F3N7O2 — CID 138693802

IUPACN-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)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-n1cnc(C)n1
InChIInChI=1S/C21H22F3N7O2/c1-12(2)15-6-8-18(33-10-21(22,23)24)31-19(15)27-20(29-31)26-14-5-7-16(17(9-14)32-4)30-11-25-13(3)28-30/h5-9,11-12H,10H2,1-4H3,(H,26,29)
InChIKeyGZKZJHIZNALCMC-UHFFFAOYSA-N
MW461.45 g/mol
LogP4.44
Rot. Bonds7

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

N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 138693802) has the molecular formula C21H22F3N7O2 and a molecular weight of 461.45 g/mol. Its IUPAC name is N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)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-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID138693802
Molecular FormulaC21H22F3N7O2
Molecular Weight461.45 g/mol
Exact Mass461.18
IUPAC NameN-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)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-n1cnc(C)n1
InChIInChI=1S/C21H22F3N7O2/c1-12(2)15-6-8-18(33-10-21(22,23)24)31-19(15)27-20(29-31)26-14-5-7-16(17(9-14)32-4)30-11-25-13(3)28-30/h5-9,11-12H,10H2,1-4H3,(H,26,29)
InChIKeyGZKZJHIZNALCMC-UHFFFAOYSA-N
XLogP4.44
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)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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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)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-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 138693802) is N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)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-(3-methyl-1,2,4-triazol-1-yl)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-(3-methyl-1,2,4-triazol-1-yl)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-n1cnc(C)n1.
What is the InChIKey of N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GZKZJHIZNALCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N7O2/c1-12(2)15-6-8-18(33-10-21(22,23)24)31-19(15)27-20(29-31)26-14-5-7-16(17(9-14)32-4)30-11-25-13(3)28-30/h5-9,11-12H,10H2,1-4H3,(H,26,29).
What are the key properties of N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-8-propan-2-yl-5-(2,2,2-trifluoroethoxy)-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)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 461.45 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)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 138693802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).