1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane

C79H99Cl6N25O9S2 — CID 158329150

About 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane

1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane (PubChem CID 158329150) has the molecular formula C79H99Cl6N25O9S2 and a molecular weight of 1819.68 g/mol. Its IUPAC name is 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane.

Molecular Properties

• Compound Name: 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane
• PubChem CID: 158329150
• Molecular Formula: C79H99Cl6N25O9S2
• Molecular Weight: 1819.68 g/mol
• Exact Mass: 1815.56
• IUPAC Name: 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane
• SMILES: CC(C)C[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.CC(Cn1cccn1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](CCO)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN1CCCCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN=[N+]=[N-])n1c(=O)[nH]c2ncc(Cl)cc21.O=c1[nH]c2ncc(Cl)cc2n1[C@@H](Cc1ccccc1)CN1CCOCC1.S.S
• InChI: InChI=1S/C19H21ClN4O2.C15H21ClN4O.C12H12ClN5O.C12H16ClN3O2.C11H14ClN3O2.C10H11ClN6O.2H2S/c20-15-11-17-18(21-12-15)22-19(25)24(17)16(10-14-4-2-1-3-5-14)13-23-6-8-26-9-7-23;1-2-12(10-19-6-4-3-5-7-19)20-13-8-11(16)9-17-14(13)18-15(20)21;1-8(7-17-4-2-3-15-17)18-10-5-9(13)6-14-11(10)16-12(18)19;1-7(2)3-9(6-17)16-10-4-8(13)5-14-11(10)15-12(16)18;1-2-8(3-4-16)15-9-5-7(12)6-13-10(9)14-11(15)17;1-2-7(5-14-16-12)17-8-3-6(11)4-13-9(8)15-10(17)18;;/h1-5,11-12,16H,6-10,13H2,(H,21,22,25);8-9,12H,2-7,10H2,1H3,(H,17,18,21);2-6,8H,7H2,1H3,(H,14,16,19);4-5,7,9,17H,3,6H2,1-2H3,(H,14,15,18);5-6,8,16H,2-4H2,1H3,(H,13,14,17);3-4,7H,2,5H2,1H3,(H,13,15,18);2*1H2/t16-;12-;;9-;8-;7-;;/m01.101../s1
• InChIKey: GPUGGKXYBOBRKR-DJWMTSRXSA-N
• XLogP: 13.68
• TPSA: 426.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 26
• Rotatable Bonds: 24
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.68
LogP ≤ 5	13.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The IUPAC name of 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane (CID 158329150) is 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane.

What is the SMILES notation for 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The canonical SMILES for 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane is CC(C)C[C@H](CO)n1c(=O)[nH]c2ncc(Cl)cc21.CC(Cn1cccn1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](CCO)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN1CCCCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN=[N+]=[N-])n1c(=O)[nH]c2ncc(Cl)cc21.O=c1[nH]c2ncc(Cl)cc2n1[C@@H](Cc1ccccc1)CN1CCOCC1.S.S.

What is the InChIKey of 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The InChIKey is GPUGGKXYBOBRKR-DJWMTSRXSA-N. The full InChI is InChI=1S/C19H21ClN4O2.C15H21ClN4O.C12H12ClN5O.C12H16ClN3O2.C11H14ClN3O2.C10H11ClN6O.2H2S/c20-15-11-17-18(21-12-15)22-19(25)24(17)16(10-14-4-2-1-3-5-14)13-23-6-8-26-9-7-23;1-2-12(10-19-6-4-3-5-7-19)20-13-8-11(16)9-17-14(13)18-15(20)21;1-8(7-17-4-2-3-15-17)18-10-5-9(13)6-14-11(10)16-12(18)19;1-7(2)3-9(6-17)16-10-4-8(13)5-14-11(10)15-12(16)18;1-2-8(3-4-16)15-9-5-7(12)6-13-10(9)14-11(15)17;1-2-7(5-14-16-12)17-8-3-6(11)4-13-9(8)15-10(17)18;;/h1-5,11-12,16H,6-10,13H2,(H,21,22,25);8-9,12H,2-7,10H2,1H3,(H,17,18,21);2-6,8H,7H2,1H3,(H,14,16,19);4-5,7,9,17H,3,6H2,1-2H3,(H,14,15,18);5-6,8,16H,2-4H2,1H3,(H,13,14,17);3-4,7H,2,5H2,1H3,(H,13,15,18);2*1H2/t16-;12-;;9-;8-;7-;;/m01.101../s1.

What are the key properties of 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane has a molecular weight of 1819.68 g/mol, XLogP of 13.68, 24 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-1-azidobutan-2-yl]-6-chloro-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-hydroxy-4-methylpentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-piperidin-1-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyrazol-1-ylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane is sourced from PubChem (CID 158329150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).