8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C23H17ClF2N6O — CID 53340122

IUPAC8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3c(-c4ccc(F)cc4Cl)cccn3n2)cc(F)c1-n1cnc(C)c1
InChIInChI=1S/C23H17ClF2N6O/c1-13-11-31(12-27-13)21-19(26)9-15(10-20(21)33-2)28-23-29-22-17(4-3-7-32(22)30-23)16-6-5-14(25)8-18(16)24/h3-12H,1-2H3,(H,28,30)
InChIKeyOWEBLCSKFZCLQZ-UHFFFAOYSA-N
MW466.88 g/mol
LogP5.57
Rot. Bonds5

About 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53340122) has the molecular formula C23H17ClF2N6O and a molecular weight of 466.88 g/mol. Its IUPAC name is 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53340122
Molecular FormulaC23H17ClF2N6O
Molecular Weight466.88 g/mol
Exact Mass466.11
IUPAC Name8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3c(-c4ccc(F)cc4Cl)cccn3n2)cc(F)c1-n1cnc(C)c1
InChIInChI=1S/C23H17ClF2N6O/c1-13-11-31(12-27-13)21-19(26)9-15(10-20(21)33-2)28-23-29-22-17(4-3-7-32(22)30-23)16-6-5-14(25)8-18(16)24/h3-12H,1-2H3,(H,28,30)
InChIKeyOWEBLCSKFZCLQZ-UHFFFAOYSA-N
XLogP5.57
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.88
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[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 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53340122) is 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(Nc2nc3c(-c4ccc(F)cc4Cl)cccn3n2)cc(F)c1-n1cnc(C)c1.
What is the InChIKey of 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is OWEBLCSKFZCLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N6O/c1-13-11-31(12-27-13)21-19(26)9-15(10-20(21)33-2)28-23-29-22-17(4-3-7-32(22)30-23)16-6-5-14(25)8-18(16)24/h3-12H,1-2H3,(H,28,30).
What are the key properties of 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 466.88 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloro-4-fluorophenyl)-N-[3-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53340122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).