lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide

C54H53Cl2F2LiN16O7 — CID 160743456

About lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide

lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide (PubChem CID 160743456) has the molecular formula C54H53Cl2F2LiN16O7 and a molecular weight of 1153.97 g/mol. Its IUPAC name is lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide.

Molecular Properties

• Compound Name: lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide
• PubChem CID: 160743456
• Molecular Formula: C54H53Cl2F2LiN16O7
• Molecular Weight: 1153.97 g/mol
• Exact Mass: 1152.38
• IUPAC Name: lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide
• SMILES: CC(Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12)C(=O)O.CCOC(=O)C(C)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.[Li+].[OH-]
• InChI: InChI=1S/C28H28ClFN8O3.C26H24ClFN8O3.Li.H2O/c1-3-41-28(40)16(2)8-18-9-19(17-4-5-17)11-37-12-20(33-26(18)37)13-38-14-23(34-35-38)27(39)31-10-22-25-24(30)21(29)6-7-36(25)15-32-22;1-14(26(38)39)6-16-7-17(15-2-3-15)9-35-10-18(31-24(16)35)11-36-12-21(32-33-36)25(37)29-8-20-23-22(28)19(27)4-5-34(23)13-30-20;;/h6-7,9,11-12,14-17H,3-5,8,10,13H2,1-2H3,(H,31,39);4-5,7,9-10,12-15H,2-3,6,8,11H2,1H3,(H,29,37)(H,38,39);;1H2/q;;+1;/p-1
• InChIKey: RVWUYZZSLVGQQD-UHFFFAOYSA-M
• XLogP: 4.28
• TPSA: 282.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1153.97
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide?

The IUPAC name of lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide (CID 160743456) is lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide.

What is the SMILES notation for lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide?

The canonical SMILES for lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide is CC(Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12)C(=O)O.CCOC(=O)C(C)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)NCc4ncn5ccc(Cl)c(F)c45)nn3)nc12.[Li+].[OH-].

What is the InChIKey of lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide?

The InChIKey is RVWUYZZSLVGQQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H28ClFN8O3.C26H24ClFN8O3.Li.H2O/c1-3-41-28(40)16(2)8-18-9-19(17-4-5-17)11-37-12-20(33-26(18)37)13-38-14-23(34-35-38)27(39)31-10-22-25-24(30)21(29)6-7-36(25)15-32-22;1-14(26(38)39)6-16-7-17(15-2-3-15)9-35-10-18(31-24(16)35)11-36-12-21(32-33-36)25(37)29-8-20-23-22(28)19(27)4-5-34(23)13-30-20;;/h6-7,9,11-12,14-17H,3-5,8,10,13H2,1-2H3,(H,31,39);4-5,7,9-10,12-15H,2-3,6,8,11H2,1H3,(H,29,37)(H,38,39);;1H2/q;;+1;/p-1.

What are the key properties of lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide?

lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide has a molecular weight of 1153.97 g/mol, XLogP of 4.28, 19 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoic acid;ethyl 3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-2-methylpropanoate;hydroxide is sourced from PubChem (CID 160743456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).