(3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol

C78H119ClIN20O15P5S3 — CID 158891011

About (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol

(3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (PubChem CID 158891011) has the molecular formula C78H119ClIN20O15P5S3 and a molecular weight of 1990.36 g/mol. Its IUPAC name is (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
• PubChem CID: 158891011
• Molecular Formula: C78H119ClIN20O15P5S3
• Molecular Weight: 1990.36 g/mol
• Exact Mass: 1988.57
• IUPAC Name: (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
• SMILES: C=P(C)(C)CC[C@H]1OC(n2c(=S)[nH]c3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(Cl)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(I)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SCC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C17H27N4O3PS.C16H25N4O3PS.C15H22ClN4O3P.C15H22IN4O3P.C15H23N4O3PS/c1-5-26-17-20-12-10(18)6-8-19-15(12)21(17)16-14(23)13(22)11(24-16)7-9-25(2,3)4;1-24(2,3)8-6-10-12(21)13(22)15(23-10)20-14-11(19-16(20)25-4)9(17)5-7-18-14;2*1-24(2,3)7-5-9-11(21)12(22)14(23-9)20-13-10(19-15(20)16)8(17)4-6-18-13;1-23(2,3)7-5-9-11(20)12(21)14(22-9)19-13-10(18-15(19)24)8(16)4-6-17-13/h6,8,11,13-14,16,22-23H,2,5,7,9H2,1,3-4H3,(H2,18,19);5,7,10,12-13,15,21-22H,1,6,8H2,2-4H3,(H2,17,18);2*4,6,9,11-12,14,21-22H,1,5,7H2,2-3H3,(H2,17,18);4,6,9,11-12,14,20-21H,1,5,7H2,2-3H3,(H2,16,17)(H,18,24)/t11-,13-,14-,16?;10-,12-,13-,15?;3*9-,11-,12-,14?/m11111/s1
• InChIKey: JEFUDIHSAFEIRC-FMGZCBBVSA-N
• XLogP: 7.41
• TPSA: 535.00 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 37
• Rotatable Bonds: 23
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1990.36
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

The IUPAC name of (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (CID 158891011) is (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

What is the SMILES notation for (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

The canonical SMILES for (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol is C=P(C)(C)CC[C@H]1OC(n2c(=S)[nH]c3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(Cl)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(I)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1OC(n2c(SCC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

The InChIKey is JEFUDIHSAFEIRC-FMGZCBBVSA-N. The full InChI is InChI=1S/C17H27N4O3PS.C16H25N4O3PS.C15H22ClN4O3P.C15H22IN4O3P.C15H23N4O3PS/c1-5-26-17-20-12-10(18)6-8-19-15(12)21(17)16-14(23)13(22)11(24-16)7-9-25(2,3)4;1-24(2,3)8-6-10-12(21)13(22)15(23-10)20-14-11(19-16(20)25-4)9(17)5-7-18-14;2*1-24(2,3)7-5-9-11(21)12(22)14(23-9)20-13-10(19-15(20)16)8(17)4-6-18-13;1-23(2,3)7-5-9-11(20)12(21)14(22-9)19-13-10(18-15(19)24)8(16)4-6-17-13/h6,8,11,13-14,16,22-23H,2,5,7,9H2,1,3-4H3,(H2,18,19);5,7,10,12-13,15,21-22H,1,6,8H2,2-4H3,(H2,17,18);2*4,6,9,11-12,14,21-22H,1,5,7H2,2-3H3,(H2,17,18);4,6,9,11-12,14,20-21H,1,5,7H2,2-3H3,(H2,16,17)(H,18,24)/t11-,13-,14-,16?;10-,12-,13-,15?;3*9-,11-,12-,14?/m11111/s1.

What are the key properties of (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

(3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol has a molecular weight of 1990.36 g/mol, XLogP of 7.41, 23 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S,5R)-2-(7-amino-2-chloroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;7-amino-3-[(3R,4S,5R)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]-3,4-dihydroxyoxolan-2-yl]-1H-imidazo[4,5-b]pyridine-2-thione;(3R,4S,5R)-2-(7-amino-2-ethylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-iodoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(3R,4S,5R)-2-(7-amino-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol is sourced from PubChem (CID 158891011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).