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

C24H20FN5O — CID 67414536

IUPAC2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3cc(-c4ccc(F)cc4)nc23)ccc1-n1ccnc1C
InChIInChI=1S/C24H20FN5O/c1-16-26-11-13-30(16)22-10-9-19(14-23(22)31-2)27-20-4-3-12-29-15-21(28-24(20)29)17-5-7-18(25)8-6-17/h3-15,27H,1-2H3
InChIKeyDQSAVLGIFSXHNF-UHFFFAOYSA-N
MW413.46 g/mol
LogP5.39
Rot. Bonds5

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

2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 67414536) has the molecular formula C24H20FN5O and a molecular weight of 413.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID67414536
Molecular FormulaC24H20FN5O
Molecular Weight413.46 g/mol
Exact Mass413.17
IUPAC Name2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3cc(-c4ccc(F)cc4)nc23)ccc1-n1ccnc1C
InChIInChI=1S/C24H20FN5O/c1-16-26-11-13-30(16)22-10-9-19(14-23(22)31-2)27-20-4-3-12-29-15-21(28-24(20)29)17-5-7-18(25)8-6-17/h3-15,27H,1-2H3
InChIKeyDQSAVLGIFSXHNF-UHFFFAOYSA-N
XLogP5.39
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.46
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine (CID 67414536) is 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine is COc1cc(Nc2cccn3cc(-c4ccc(F)cc4)nc23)ccc1-n1ccnc1C.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is DQSAVLGIFSXHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O/c1-16-26-11-13-30(16)22-10-9-19(14-23(22)31-2)27-20-4-3-12-29-15-21(28-24(20)29)17-5-7-18(25)8-6-17/h3-15,27H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine?
2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 413.46 g/mol, XLogP of 5.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 67414536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).