lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one

C96H114BBrCl5LiN18O21S2 — CID 157385365

About lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one

lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one (PubChem CID 157385365) has the molecular formula C96H114BBrCl5LiN18O21S2 and a molecular weight of 2195.13 g/mol. Its IUPAC name is lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one.

Molecular Properties

• Compound Name: lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one
• PubChem CID: 157385365
• Molecular Formula: C96H114BBrCl5LiN18O21S2
• Molecular Weight: 2195.13 g/mol
• Exact Mass: 2190.57
• IUPAC Name: lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one
• SMILES: COC(=O)c1cn[nH]c1.COC(=O)c1cnn(Cc2cn3cc(C4CC4)cc(C4(O)COC4)c3n2)c1.COC(=O)c1cnn(Cc2cn3cc(C4CC4)cc(C4(OC(=S)SC)COC4)c3n2)c1.Nc1ncc(C2CC2)cc1C1(O)COC1.Nc1ncc(Cl)cc1Br.Nc1ncc(Cl)cc1C1(O)COC1.O=C(CCl)CCl.O=C1COC1.OB(O)C1CC1.OC1(c2cc(C3CC3)cn3cc(CCl)nc23)COC1.[CH2-]CCC.[Li+]
• InChI: InChI=1S/C21H22N4O4S2.C19H20N4O4.C14H15ClN2O2.C11H14N2O2.C8H9ClN2O2.C5H4BrClN2.C5H6N2O2.C4H9.C3H7BO2.C3H4Cl2O.C3H4O2.Li/c1-27-19(26)15-6-22-25(8-15)10-16-9-24-7-14(13-3-4-13)5-17(18(24)23-16)21(11-28-12-21)29-20(30)31-2;1-26-18(24)14-5-20-23(7-14)9-15-8-22-6-13(12-2-3-12)4-16(17(22)21-15)19(25)10-27-11-19;15-4-11-6-17-5-10(9-1-2-9)3-12(13(17)16-11)14(18)7-19-8-14;12-10-9(11(14)5-15-6-11)3-8(4-13-10)7-1-2-7;9-5-1-6(7(10)11-2-5)8(12)3-13-4-8;6-4-1-3(7)2-9-5(4)8;1-9-5(8)4-2-6-7-3-4;1-3-4-2;5-4(6)3-1-2-3;4-1-3(6)2-5;4-3-1-5-2-3;/h5-9,13H,3-4,10-12H2,1-2H3;4-8,12,25H,2-3,9-11H2,1H3;3,5-6,9,18H,1-2,4,7-8H2;3-4,7,14H,1-2,5-6H2,(H2,12,13);1-2,12H,3-4H2,(H2,10,11);1-2H,(H2,8,9);2-3H,1H3,(H,6,7);1,3-4H2,2H3;3,5-6H,1-2H2;1-2H2;1-2H2;/q;;;;;;;-1;;;;+1
• InChIKey: MWEJQBSLAMODEE-UHFFFAOYSA-N
• XLogP: 9.20
• TPSA: 531.98 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2195.13
LogP ≤ 5	9.20
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one?

The IUPAC name of lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one (CID 157385365) is lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one.

What is the SMILES notation for lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one?

The canonical SMILES for lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one is COC(=O)c1cn[nH]c1.COC(=O)c1cnn(Cc2cn3cc(C4CC4)cc(C4(O)COC4)c3n2)c1.COC(=O)c1cnn(Cc2cn3cc(C4CC4)cc(C4(OC(=S)SC)COC4)c3n2)c1.Nc1ncc(C2CC2)cc1C1(O)COC1.Nc1ncc(Cl)cc1Br.Nc1ncc(Cl)cc1C1(O)COC1.O=C(CCl)CCl.O=C1COC1.OB(O)C1CC1.OC1(c2cc(C3CC3)cn3cc(CCl)nc23)COC1.[CH2-]CCC.[Li+].

What is the InChIKey of lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one?

The InChIKey is MWEJQBSLAMODEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S2.C19H20N4O4.C14H15ClN2O2.C11H14N2O2.C8H9ClN2O2.C5H4BrClN2.C5H6N2O2.C4H9.C3H7BO2.C3H4Cl2O.C3H4O2.Li/c1-27-19(26)15-6-22-25(8-15)10-16-9-24-7-14(13-3-4-13)5-17(18(24)23-16)21(11-28-12-21)29-20(30)31-2;1-26-18(24)14-5-20-23(7-14)9-15-8-22-6-13(12-2-3-12)4-16(17(22)21-15)19(25)10-27-11-19;15-4-11-6-17-5-10(9-1-2-9)3-12(13(17)16-11)14(18)7-19-8-14;12-10-9(11(14)5-15-6-11)3-8(4-13-10)7-1-2-7;9-5-1-6(7(10)11-2-5)8(12)3-13-4-8;6-4-1-3(7)2-9-5(4)8;1-9-5(8)4-2-6-7-3-4;1-3-4-2;5-4(6)3-1-2-3;4-1-3(6)2-5;4-3-1-5-2-3;/h5-9,13H,3-4,10-12H2,1-2H3;4-8,12,25H,2-3,9-11H2,1H3;3,5-6,9,18H,1-2,4,7-8H2;3-4,7,14H,1-2,5-6H2,(H2,12,13);1-2,12H,3-4H2,(H2,10,11);1-2H,(H2,8,9);2-3H,1H3,(H,6,7);1,3-4H2,2H3;3,5-6H,1-2H2;1-2H2;1-2H2;/q;;;;;;;-1;;;;+1.

What are the key properties of lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one?

lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one has a molecular weight of 2195.13 g/mol, XLogP of 9.20, 22 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-(2-amino-5-chloro-3-pyridinyl)oxetan-3-ol;3-(2-amino-5-cyclopropyl-3-pyridinyl)oxetan-3-ol;3-bromo-5-chloropyridin-2-amine;butane;3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxetan-3-ol;cyclopropylboronic acid;1,3-dichloropropan-2-one;methyl 1-[[6-cyclopropyl-8-(3-hydroxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1-[[6-cyclopropyl-8-(3-methylsulfanylcarbothioyloxyoxetan-3-yl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;methyl 1H-pyrazole-4-carboxylate;oxetan-3-one is sourced from PubChem (CID 157385365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).