lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide

C45H51Cl2LiN12O6 — CID 158566428

About lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide

lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide (PubChem CID 158566428) has the molecular formula C45H51Cl2LiN12O6 and a molecular weight of 933.83 g/mol. Its IUPAC name is lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide.

Molecular Properties

• Compound Name: lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide
• PubChem CID: 158566428
• Molecular Formula: C45H51Cl2LiN12O6
• Molecular Weight: 933.83 g/mol
• Exact Mass: 932.36
• IUPAC Name: lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide
• SMILES: CC(C)(C)C(=O)OCCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)cnc21.O=c1n(Cc2nc3cc(Cl)cnc3n2CCCCO)c2cnccc2n1C1CC1.[Li+].[OH-]
• InChI: InChI=1S/C25H29ClN6O3.C20H21ClN6O2.Li.H2O/c1-25(2,3)23(33)35-11-5-4-10-30-21(29-18-12-16(26)13-28-22(18)30)15-31-20-14-27-9-8-19(20)32(24(31)34)17-6-7-17;21-13-9-15-19(23-10-13)25(7-1-2-8-28)18(24-15)12-26-17-11-22-6-5-16(17)27(20(26)29)14-3-4-14;;/h8-9,12-14,17H,4-7,10-11,15H2,1-3H3;5-6,9-11,14,28H,1-4,7-8,12H2;;1H2/q;;+1;/p-1
• InChIKey: HRNNUVAYNBLMBI-UHFFFAOYSA-M
• XLogP: 3.93
• TPSA: 217.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.83
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide?

The IUPAC name of lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide (CID 158566428) is lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide.

What is the SMILES notation for lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide?

The canonical SMILES for lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide is CC(C)(C)C(=O)OCCCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)cnc21.O=c1n(Cc2nc3cc(Cl)cnc3n2CCCCO)c2cnccc2n1C1CC1.[Li+].[OH-].

What is the InChIKey of lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide?

The InChIKey is HRNNUVAYNBLMBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H29ClN6O3.C20H21ClN6O2.Li.H2O/c1-25(2,3)23(33)35-11-5-4-10-30-21(29-18-12-16(26)13-28-22(18)30)15-31-20-14-27-9-8-19(20)32(24(31)34)17-6-7-17;21-13-9-15-19(23-10-13)25(7-1-2-8-28)18(24-15)12-26-17-11-22-6-5-16(17)27(20(26)29)14-3-4-14;;/h8-9,12-14,17H,4-7,10-11,15H2,1-3H3;5-6,9-11,14,28H,1-4,7-8,12H2;;1H2/q;;+1;/p-1.

What are the key properties of lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide?

lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide has a molecular weight of 933.83 g/mol, XLogP of 3.93, 15 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;4-[6-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-3-yl]butyl 2,2-dimethylpropanoate;3-[[6-chloro-3-(4-hydroxybutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;hydroxide is sourced from PubChem (CID 158566428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).