2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine

C25H22FN5O — CID 71457197

IUPAC2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3cc(Cc4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22FN5O/c1-17-14-31(16-27-17)23-10-9-20(13-24(23)32-2)28-22-4-3-11-30-15-21(29-25(22)30)12-18-5-7-19(26)8-6-18/h3-11,13-16,28H,12H2,1-2H3
InChIKeyDTDGCUJDBGTFHK-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.31
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine

2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 71457197) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID71457197
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3cc(Cc4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22FN5O/c1-17-14-31(16-27-17)23-10-9-20(13-24(23)32-2)28-22-4-3-11-30-15-21(29-25(22)30)12-18-5-7-19(26)8-6-18/h3-11,13-16,28H,12H2,1-2H3
InChIKeyDTDGCUJDBGTFHK-UHFFFAOYSA-N
XLogP5.31
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2,4-Disubstituted Pyrimidine 2f
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine (CID 71457197) is 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine is COc1cc(Nc2cccn3cc(Cc4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is DTDGCUJDBGTFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-17-14-31(16-27-17)23-10-9-20(13-24(23)32-2)28-22-4-3-11-30-15-21(29-25(22)30)12-18-5-7-19(26)8-6-18/h3-11,13-16,28H,12H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 427.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 71457197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).