lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate

C85H87ClF2LiN21O11 — CID 157308250

About lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate

lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate (PubChem CID 157308250) has the molecular formula C85H87ClF2LiN21O11 and a molecular weight of 1659.16 g/mol. Its IUPAC name is lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate
• PubChem CID: 157308250
• Molecular Formula: C85H87ClF2LiN21O11
• Molecular Weight: 1659.16 g/mol
• Exact Mass: 1657.67
• IUPAC Name: lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate
• SMILES: COC(=O)c1cc[nH]c1.COC(=O)c1ccn(Cc2cn3cc(C4CC4)ccc3n2)c1.COc1ccc(-n2cnnn2)c(CCC(=O)c2ccn(Cc3cn4cc(C5CC5)ccc4n3)c2)c1F.COc1ccc(-n2cnnn2)c(CN)c1F.ClCc1cn2cc(C3CC3)ccc2n1.O.O=C(O)c1ccn(Cc2cn3cc(C4CC4)ccc3n2)c1.[Li+].[OH-]
• InChI: InChI=1S/C26H24FN7O2.C17H17N3O2.C16H15N3O2.C11H11ClN2.C9H10FN5O.C6H7NO2.Li.2H2O/c1-36-24-8-6-22(34-16-28-30-31-34)21(26(24)27)5-7-23(35)19-10-11-32(12-19)14-20-15-33-13-18(17-2-3-17)4-9-25(33)29-20;1-22-17(21)14-6-7-19(8-14)10-15-11-20-9-13(12-2-3-12)4-5-16(20)18-15;20-16(21)13-5-6-18(7-13)9-14-10-19-8-12(11-1-2-11)3-4-15(19)17-14;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;1-16-8-3-2-7(6(4-11)9(8)10)15-5-12-13-14-15;1-9-6(8)5-2-3-7-4-5;;;/h4,6,8-13,15-17H,2-3,5,7,14H2,1H3;4-9,11-12H,2-3,10H2,1H3;3-8,10-11H,1-2,9H2,(H,20,21);3-4,6-8H,1-2,5H2;2-3,5H,4,11H2,1H3;2-4,7H,1H3;;2*1H2/q;;;;;;+1;;/p-1
• InChIKey: CSEPKBXXWNUWIJ-UHFFFAOYSA-M
• XLogP: 9.63
• TPSA: 399.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1659.16
LogP ≤ 5	9.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate?

The IUPAC name of lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate (CID 157308250) is lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate.

What is the SMILES notation for lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate?

The canonical SMILES for lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate is COC(=O)c1cc[nH]c1.COC(=O)c1ccn(Cc2cn3cc(C4CC4)ccc3n2)c1.COc1ccc(-n2cnnn2)c(CCC(=O)c2ccn(Cc3cn4cc(C5CC5)ccc4n3)c2)c1F.COc1ccc(-n2cnnn2)c(CN)c1F.ClCc1cn2cc(C3CC3)ccc2n1.O.O=C(O)c1ccn(Cc2cn3cc(C4CC4)ccc3n2)c1.[Li+].[OH-].

What is the InChIKey of lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate?

The InChIKey is CSEPKBXXWNUWIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24FN7O2.C17H17N3O2.C16H15N3O2.C11H11ClN2.C9H10FN5O.C6H7NO2.Li.2H2O/c1-36-24-8-6-22(34-16-28-30-31-34)21(26(24)27)5-7-23(35)19-10-11-32(12-19)14-20-15-33-13-18(17-2-3-17)4-9-25(33)29-20;1-22-17(21)14-6-7-19(8-14)10-15-11-20-9-13(12-2-3-12)4-5-16(20)18-15;20-16(21)13-5-6-18(7-13)9-14-10-19-8-12(11-1-2-11)3-4-15(19)17-14;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;1-16-8-3-2-7(6(4-11)9(8)10)15-5-12-13-14-15;1-9-6(8)5-2-3-7-4-5;;;/h4,6,8-13,15-17H,2-3,5,7,14H2,1H3;4-9,11-12H,2-3,10H2,1H3;3-8,10-11H,1-2,9H2,(H,20,21);3-4,6-8H,1-2,5H2;2-3,5H,4,11H2,1H3;2-4,7H,1H3;;2*1H2/q;;;;;;+1;;/p-1.

What are the key properties of lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate?

lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate has a molecular weight of 1659.16 g/mol, XLogP of 9.63, 23 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylic acid;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrol-3-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one;[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methanamine;methyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrole-3-carboxylate;methyl 1H-pyrrole-3-carboxylate;hydroxide;hydrate is sourced from PubChem (CID 157308250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).