Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate

C₂₉H₃₀FN₉O₄ — CID 157078378

About Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate

Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate (PubChem CID 157078378) has the molecular formula C₂₉H₃₀FN₉O₄ and a molecular weight of 587.62 g/mol. Its IUPAC name is ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate.

Molecular Properties

• Compound Name: Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate
• PubChem CID: 157078378
• Molecular Formula: C₂₉H₃₀FN₉O₄
• Molecular Weight: 587.62 g/mol
• Exact Mass: 587.24
• IUPAC Name: ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate
• SMILES: CCOC(=O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4c(-n5cnnn5)ccc(OC)c4F)nn3)nc12
• InChI: InChI=1S/C29H30FN9O4/c1-3-43-27(41)11-6-19-12-20(18-4-5-18)13-37-14-21(32-29(19)37)15-38-16-23(33-35-38)25(40)9-7-22-24(39-17-31-34-36-39)8-10-26(42-2)28(22)30/h8,10,12-14,16-18H,3-7,9,11,15H2,1-2H3
• InChIKey: ADFYCRKCYYQPMI-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 144.21 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.62
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate?

The IUPAC name of Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate (CID 157078378) is ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate.

What is the SMILES notation for Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate?

The canonical SMILES for Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate is CCOC(=O)CCc1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4c(-n5cnnn5)ccc(OC)c4F)nn3)nc12.

What is the InChIKey of Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate?

The InChIKey is ADFYCRKCYYQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN9O4/c1-3-43-27(41)11-6-19-12-20(18-4-5-18)13-37-14-21(32-29(19)37)15-38-16-23(33-35-38)25(40)9-7-22-24(39-17-31-34-36-39)8-10-26(42-2)28(22)30/h8,10,12-14,16-18H,3-7,9,11,15H2,1-2H3.

What are the key properties of Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate?

Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate has a molecular weight of 587.62 g/mol, XLogP of 3.29, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 3-[6-cyclopropyl-2-[[4-[3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]propanoate is sourced from PubChem (CID 157078378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157078378 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.