8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C23H17F3N6O — CID 53339677

IUPAC8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3c(-c4ccc(F)c(F)c4)cc(F)cn3n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H17F3N6O/c1-13-10-31(12-27-13)20-6-4-16(9-21(20)33-2)28-23-29-22-17(8-15(24)11-32(22)30-23)14-3-5-18(25)19(26)7-14/h3-12H,1-2H3,(H,28,30)
InChIKeyWXCJBYCMNGFYAY-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.06
Rot. Bonds5

About 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53339677) has the molecular formula C23H17F3N6O and a molecular weight of 450.42 g/mol. Its IUPAC name is 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53339677
Molecular FormulaC23H17F3N6O
Molecular Weight450.42 g/mol
Exact Mass450.14
IUPAC Name8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1cc(Nc2nc3c(-c4ccc(F)c(F)c4)cc(F)cn3n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H17F3N6O/c1-13-10-31(12-27-13)20-6-4-16(9-21(20)33-2)28-23-29-22-17(8-15(24)11-32(22)30-23)14-3-5-18(25)19(26)7-14/h3-12H,1-2H3,(H,28,30)
InChIKeyWXCJBYCMNGFYAY-UHFFFAOYSA-N
XLogP5.06
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Related Compounds

6-cyclopropyl-8-(3,4-difluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340703
8-(4-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339454
2-[4-[2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]acetonitrile
CID 53339675
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6-methyl-8-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53339786
2-[8-(4-chlorophenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]propan-2-ol
CID 53340234
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340581
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 67414569
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
8-(4-fluorophenyl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 58375643
2-(5-fluoro-2-methylphenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-b]pyridazin-8-amine
CID 67414837
4-(4-chlorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 86624674

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53339677) is 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1cc(Nc2nc3c(-c4ccc(F)c(F)c4)cc(F)cn3n2)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is WXCJBYCMNGFYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N6O/c1-13-10-31(12-27-13)20-6-4-16(9-21(20)33-2)28-23-29-22-17(8-15(24)11-32(22)30-23)14-3-5-18(25)19(26)7-14/h3-12H,1-2H3,(H,28,30).
What are the key properties of 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 450.42 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-difluorophenyl)-6-fluoro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53339677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).