ethyl 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]cyclopropane-1-carboxylate

C29H27ClFN7O3 — CID 160844865

About ethyl 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]cyclopropane-1-carboxylate

ethyl 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]cyclopropane-1-carboxylate (PubChem CID 160844865) has the molecular formula C29H27ClFN7O3 and a molecular weight of 576.03 g/mol. Its IUPAC name is ethyl 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]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 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]cyclopropane-1-carboxylate
• PubChem CID: 160844865
• Molecular Formula: C29H27ClFN7O3
• Molecular Weight: 576.03 g/mol
• Exact Mass: 575.18
• IUPAC Name: ethyl 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]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12
• InChI: InChI=1S/C29H27ClFN7O3/c1-2-41-29(40)21-10-19(21)20-9-17(16-3-4-16)11-37-12-18(33-28(20)37)13-38-14-24(34-35-38)25(39)6-5-23-27-26(31)22(30)7-8-36(27)15-32-23/h7-9,11-12,14-16,19,21H,2-6,10,13H2,1H3
• InChIKey: ZCXMIMQCZURDBL-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 108.68 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.03
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethyl 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]cyclopropane-1-carboxylate?

The IUPAC name of ethyl 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]cyclopropane-1-carboxylate (CID 160844865) is ethyl 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]cyclopropane-1-carboxylate.

What is the SMILES notation for ethyl 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]cyclopropane-1-carboxylate?

The canonical SMILES for ethyl 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]cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.

What is the InChIKey of ethyl 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]cyclopropane-1-carboxylate?

The InChIKey is ZCXMIMQCZURDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClFN7O3/c1-2-41-29(40)21-10-19(21)20-9-17(16-3-4-16)11-37-12-18(33-28(20)37)13-38-14-24(34-35-38)25(39)6-5-23-27-26(31)22(30)7-8-36(27)15-32-23/h7-9,11-12,14-16,19,21H,2-6,10,13H2,1H3.

What are the key properties of ethyl 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]cyclopropane-1-carboxylate?

ethyl 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]cyclopropane-1-carboxylate has a molecular weight of 576.03 g/mol, XLogP of 4.77, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 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]cyclopropane-1-carboxylate is sourced from PubChem (CID 160844865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).