5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde

C24H17FN4O2 — CID 91268630

IUPAC5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde
SMILESCc1ncoc1-c1ccc(Nc2cccn3cc(-c4ccc(F)cc4)nc23)cc1C=O
InChIInChI=1S/C24H17FN4O2/c1-15-23(31-14-26-15)20-9-8-19(11-17(20)13-30)27-21-3-2-10-29-12-22(28-24(21)29)16-4-6-18(25)7-5-16/h2-14,27H,1H3
InChIKeyXZIPUBKVVQKNCX-UHFFFAOYSA-N
MW412.42 g/mol
LogP5.66
Rot. Bonds5

About 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde

5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde (PubChem CID 91268630) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde.

Molecular Properties

Compound Name5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde
PubChem CID91268630
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC Name5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde
SMILESCc1ncoc1-c1ccc(Nc2cccn3cc(-c4ccc(F)cc4)nc23)cc1C=O
InChIInChI=1S/C24H17FN4O2/c1-15-23(31-14-26-15)20-9-8-19(11-17(20)13-30)27-21-3-2-10-29-12-22(28-24(21)29)16-4-6-18(25)7-5-16/h2-14,27H,1H3
InChIKeyXZIPUBKVVQKNCX-UHFFFAOYSA-N
XLogP5.66
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol
CID 58515566
[5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methylimidazol-1-yl)phenyl]methanol
CID 58449879
2-(4-fluorophenyl)-N-[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67414536
[5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol
CID 58515592
2-(4-fluorophenyl)-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]imidazo[1,2-c]pyrimidin-8-amine
CID 67004842
4-fluoro-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055671
1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122284552
3-(4-fluorophenyl)-1-methyl-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyrazole-5-carboxamide
CID 122284280
2-(4-fluorophenyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 67414569
N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]formamide
CID 24994442
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 700051
2-(2-methylphenyl)-N-[4-(3-methyl-1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyridin-8-amine
CID 67414654

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde?
The IUPAC name of 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde (CID 91268630) is 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde.
What is the SMILES notation for 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde?
The canonical SMILES for 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde is Cc1ncoc1-c1ccc(Nc2cccn3cc(-c4ccc(F)cc4)nc23)cc1C=O.
What is the InChIKey of 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde?
The InChIKey is XZIPUBKVVQKNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2/c1-15-23(31-14-26-15)20-9-8-19(11-17(20)13-30)27-21-3-2-10-29-12-22(28-24(21)29)16-4-6-18(25)7-5-16/h2-14,27H,1H3.
What are the key properties of 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde?
5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde has a molecular weight of 412.42 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)benzaldehyde is sourced from PubChem (CID 91268630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).