sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide

C87H103Cl4N24NaO16 — CID 157359797

About sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide

sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide (PubChem CID 157359797) has the molecular formula C87H103Cl4N24NaO16 and a molecular weight of 1905.73 g/mol. Its IUPAC name is sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide.

Molecular Properties

• Compound Name: sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide
• PubChem CID: 157359797
• Molecular Formula: C87H103Cl4N24NaO16
• Molecular Weight: 1905.73 g/mol
• Exact Mass: 1902.66
• IUPAC Name: sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide
• SMILES: CC(C)(C)OC(=O)N1CC2OC2C1.CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@@H](O)C1.COc1cc(CO)c(-c2cn3ccc(Cl)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4C[C@H](N)[C@@H](O)C4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4C[C@H](NCc5ccncc5)[C@@H](O)C4)cc3n2)cc1Cl.O=Cc1ccncc1.[N-]=[N+]=N[C@H]1CNC[C@@H]1O.[N-]=[N+]=[N-].[Na+]
• InChI: InChI=1S/C25H26ClN5O3.C19H21ClN4O3.C15H12Cl2N2O2.C9H16N4O3.C9H15NO3.C6H5NO.C4H8N4O.N3.Na/c1-34-24-8-17(15-32)19(10-20(24)26)21-12-30-7-4-18(9-25(30)29-21)31-13-22(23(33)14-31)28-11-16-2-5-27-6-3-16;1-27-18-4-11(10-25)13(6-14(18)20)16-8-23-3-2-12(5-19(23)22-16)24-7-15(21)17(26)9-24;1-21-14-4-9(8-20)11(6-12(14)17)13-7-19-3-2-10(16)5-15(19)18-13;1-9(2,3)16-8(15)13-4-6(11-12-10)7(14)5-13;1-9(2,3)13-8(11)10-4-6-7(5-10)12-6;8-5-6-1-3-7-4-2-6;5-8-7-3-1-6-2-4(3)9;1-3-2;/h2-10,12,22-23,28,32-33H,11,13-15H2,1H3;2-6,8,15,17,25-26H,7,9-10,21H2,1H3;2-7,20H,8H2,1H3;6-7,14H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;1-5H;3-4,6,9H,1-2H2;;/q;;;;;;;-1;+1/t22-,23-;15-,17-;;6-,7-;;;3-,4-;;/m00.0..0../s1
• InChIKey: LDGZKNIDZOQBJV-UVKQDRLJSA-N
• XLogP: 9.04
• TPSA: 548.44 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1905.73
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide?

The IUPAC name of sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide (CID 157359797) is sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide.

What is the SMILES notation for sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide?

The canonical SMILES for sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide is CC(C)(C)OC(=O)N1CC2OC2C1.CC(C)(C)OC(=O)N1C[C@H](N=[N+]=[N-])[C@@H](O)C1.COc1cc(CO)c(-c2cn3ccc(Cl)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4C[C@H](N)[C@@H](O)C4)cc3n2)cc1Cl.COc1cc(CO)c(-c2cn3ccc(N4C[C@H](NCc5ccncc5)[C@@H](O)C4)cc3n2)cc1Cl.O=Cc1ccncc1.[N-]=[N+]=N[C@H]1CNC[C@@H]1O.[N-]=[N+]=[N-].[Na+].

What is the InChIKey of sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide?

The InChIKey is LDGZKNIDZOQBJV-UVKQDRLJSA-N. The full InChI is InChI=1S/C25H26ClN5O3.C19H21ClN4O3.C15H12Cl2N2O2.C9H16N4O3.C9H15NO3.C6H5NO.C4H8N4O.N3.Na/c1-34-24-8-17(15-32)19(10-20(24)26)21-12-30-7-4-18(9-25(30)29-21)31-13-22(23(33)14-31)28-11-16-2-5-27-6-3-16;1-27-18-4-11(10-25)13(6-14(18)20)16-8-23-3-2-12(5-19(23)22-16)24-7-15(21)17(26)9-24;1-21-14-4-9(8-20)11(6-12(14)17)13-7-19-3-2-10(16)5-15(19)18-13;1-9(2,3)16-8(15)13-4-6(11-12-10)7(14)5-13;1-9(2,3)13-8(11)10-4-6-7(5-10)12-6;8-5-6-1-3-7-4-2-6;5-8-7-3-1-6-2-4(3)9;1-3-2;/h2-10,12,22-23,28,32-33H,11,13-15H2,1H3;2-6,8,15,17,25-26H,7,9-10,21H2,1H3;2-7,20H,8H2,1H3;6-7,14H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3;1-5H;3-4,6,9H,1-2H2;;/q;;;;;;;-1;+1/t22-,23-;15-,17-;;6-,7-;;;3-,4-;;/m00.0..0../s1.

What are the key properties of sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide?

sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide has a molecular weight of 1905.73 g/mol, XLogP of 9.04, 17 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(3S,4S)-4-amino-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]pyrrolidin-3-ol;(3S,4S)-4-azidopyrrolidin-3-ol;tert-butyl (3S,4S)-3-azido-4-hydroxypyrrolidine-1-carboxylate;tert-butyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate;[4-chloro-2-(7-chloroimidazo[1,2-a]pyridin-2-yl)-5-methoxyphenyl]methanol;(3S,4S)-1-[2-[5-chloro-2-(hydroxymethyl)-4-methoxyphenyl]imidazo[1,2-a]pyridin-7-yl]-4-(pyridin-4-ylmethylamino)pyrrolidin-3-ol;pyridine-4-carbaldehyde;azide is sourced from PubChem (CID 157359797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).