6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane

C83H93Cl6F5N18O16P2S5 — CID 159421926

About 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane

6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane (PubChem CID 159421926) has the molecular formula C83H93Cl6F5N18O16P2S5 and a molecular weight of 2128.76 g/mol. Its IUPAC name is 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane.

Molecular Properties

• Compound Name: 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane
• PubChem CID: 159421926
• Molecular Formula: C83H93Cl6F5N18O16P2S5
• Molecular Weight: 2128.76 g/mol
• Exact Mass: 2124.31
• IUPAC Name: 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane
• SMILES: CC(C)[C@H](N)C(=O)OC[C@H](C(C)C)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.CC(C)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cn3)c21.CC[C@@H](CO)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(Cl)cn3)c21.CC[C@@H](COP(=O)(O)O)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)c(F)c3)c21.CC[C@@H](COP(=O)(O)O)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.S.S.S.S.S
• InChI: InChI=1S/C22H26ClFN4O3.C16H15ClF2N3O5P.C16H16ClFN3O5P.C15H14Cl2N4O2.C14H12ClFN4O.5H2S/c1-11(2)16(10-31-21(29)18(25)12(3)4)28-19-17(13-5-7-14(24)8-6-13)15(23)9-26-20(19)27-22(28)30;1-2-9(7-27-28(24,25)26)22-14-13(8-3-4-11(18)12(19)5-8)10(17)6-20-15(14)21-16(22)23;1-2-11(8-26-27(23,24)25)21-14-13(9-3-5-10(18)6-4-9)12(17)7-19-15(14)20-16(21)22;1-2-9(7-22)21-13-12(11-4-3-8(16)5-18-11)10(17)6-19-14(13)20-15(21)23;1-7(2)20-12-11(10-4-3-8(16)5-17-10)9(15)6-18-13(12)19-14(20)21;;;;;/h5-9,11-12,16,18H,10,25H2,1-4H3,(H,26,27,30);3-6,9H,2,7H2,1H3,(H,20,21,23)(H2,24,25,26);3-7,11H,2,8H2,1H3,(H,19,20,22)(H2,23,24,25);3-6,9,22H,2,7H2,1H3,(H,19,20,23);3-7H,1-2H3,(H,18,19,21);5*1H2/t16-,18+;9-;11-;9-;;;;;;/m1000....../s1
• InChIKey: LPWIBIROZYFPRB-PFKQBPRSSA-N
• XLogP: 17.30
• TPSA: 485.25 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.76
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The IUPAC name of 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane (CID 159421926) is 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane.

What is the SMILES notation for 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The canonical SMILES for 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane is CC(C)[C@H](N)C(=O)OC[C@H](C(C)C)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.CC(C)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cn3)c21.CC[C@@H](CO)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(Cl)cn3)c21.CC[C@@H](COP(=O)(O)O)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)c(F)c3)c21.CC[C@@H](COP(=O)(O)O)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc(F)cc3)c21.S.S.S.S.S.

What is the InChIKey of 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The InChIKey is LPWIBIROZYFPRB-PFKQBPRSSA-N. The full InChI is InChI=1S/C22H26ClFN4O3.C16H15ClF2N3O5P.C16H16ClFN3O5P.C15H14Cl2N4O2.C14H12ClFN4O.5H2S/c1-11(2)16(10-31-21(29)18(25)12(3)4)28-19-17(13-5-7-14(24)8-6-13)15(23)9-26-20(19)27-22(28)30;1-2-9(7-27-28(24,25)26)22-14-13(8-3-4-11(18)12(19)5-8)10(17)6-20-15(14)21-16(22)23;1-2-11(8-26-27(23,24)25)21-14-13(9-3-5-10(18)6-4-9)12(17)7-19-15(14)20-16(21)22;1-2-9(7-22)21-13-12(11-4-3-8(16)5-18-11)10(17)6-19-14(13)20-15(21)23;1-7(2)20-12-11(10-4-3-8(16)5-17-10)9(15)6-18-13(12)19-14(20)21;;;;;/h5-9,11-12,16,18H,10,25H2,1-4H3,(H,26,27,30);3-6,9H,2,7H2,1H3,(H,20,21,23)(H2,24,25,26);3-7,11H,2,8H2,1H3,(H,19,20,22)(H2,23,24,25);3-6,9,22H,2,7H2,1H3,(H,19,20,23);3-7H,1-2H3,(H,18,19,21);5*1H2/t16-,18+;9-;11-;9-;;;;;;/m1000....../s1.

What are the key properties of 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane has a molecular weight of 2128.76 g/mol, XLogP of 17.30, 25 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-7-(5-chloro-2-pyridinyl)-1-[(2S)-1-hydroxybutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;[(2S)-2-[6-chloro-7-(3,4-difluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]butyl] dihydrogen phosphate;[(2S)-2-[6-chloro-7-(4-fluorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-3-methylbutyl] (2S)-2-amino-3-methylbutanoate;6-chloro-7-(5-fluoro-2-pyridinyl)-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;sulfane is sourced from PubChem (CID 159421926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).