2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde

C26H23ClFN7O3 — CID 158535111

About 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde

2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde (PubChem CID 158535111) has the molecular formula C26H23ClFN7O3 and a molecular weight of 535.97 g/mol. Its IUPAC name is 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde.

Molecular Properties

• Compound Name: 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde
• PubChem CID: 158535111
• Molecular Formula: C26H23ClFN7O3
• Molecular Weight: 535.97 g/mol
• Exact Mass: 535.15
• IUPAC Name: 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde
• SMILES: O=CCOCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
• InChI: InChI=1S/C26H23ClFN7O3/c27-20-5-6-33-15-29-21(25(33)24(20)28)3-4-23(37)22-13-35(32-31-22)12-19-11-34-10-17(16-1-2-16)9-18(26(34)30-19)14-38-8-7-36/h5-7,9-11,13,15-16H,1-4,8,12,14H2
• InChIKey: DWZSCBTYFSGBTR-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 108.68 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.97
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde?

The IUPAC name of 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde (CID 158535111) is 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde.

What is the SMILES notation for 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde?

The canonical SMILES for 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde is O=CCOCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.

What is the InChIKey of 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde?

The InChIKey is DWZSCBTYFSGBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN7O3/c27-20-5-6-33-15-29-21(25(33)24(20)28)3-4-23(37)22-13-35(32-31-22)12-19-11-34-10-17(16-1-2-16)9-18(26(34)30-19)14-38-8-7-36/h5-7,9-11,13,15-16H,1-4,8,12,14H2.

What are the key properties of 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde?

2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde has a molecular weight of 535.97 g/mol, XLogP of 3.82, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[4-[3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methoxy]acetaldehyde is sourced from PubChem (CID 158535111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).