(2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol

C82H126BrClFN20O15P5 — CID 161462980

About (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol

(2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (PubChem CID 161462980) has the molecular formula C82H126BrClFN20O15P5 and a molecular weight of 1921.26 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol
• PubChem CID: 161462980
• Molecular Formula: C82H126BrClFN20O15P5
• Molecular Weight: 1921.26 g/mol
• Exact Mass: 1918.73
• IUPAC Name: (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[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]1O[C@@H](n2c(Br)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2c(CCC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2c(CCCC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2c(Cl)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2c(F)nc3c(N)ccnc32)[C@H](O)[C@@H]1O
• InChI: InChI=1S/C19H31N4O3P.C18H29N4O3P.C15H22BrN4O3P.C15H22ClN4O3P.C15H22FN4O3P/c1-5-6-7-14-22-15-12(20)8-10-21-18(15)23(14)19-17(25)16(24)13(26-19)9-11-27(2,3)4;1-5-6-13-21-14-11(19)7-9-20-17(14)22(13)18-16(24)15(23)12(25-18)8-10-26(2,3)4;3*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/h8,10,13,16-17,19,24-25H,2,5-7,9,11H2,1,3-4H3,(H2,20,21);7,9,12,15-16,18,23-24H,2,5-6,8,10H2,1,3-4H3,(H2,19,20);3*4,6,9,11-12,14,21-22H,1,5,7H2,2-3H3,(H2,17,18)/t13-,16-,17-,19-;12-,15-,16-,18-;3*9-,11-,12-,14-/m11111/s1
• InChIKey: WCBFYRLFTRFDFQ-AHVXYFRQSA-N
• XLogP: 7.51
• TPSA: 532.10 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 35
• Rotatable Bonds: 25
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1921.26
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

The IUPAC name of (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol (CID 161462980) is (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol.

What is the SMILES notation for (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

The canonical SMILES for (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[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]1O[C@@H](n2c(Br)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2c(CCC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2c(CCCC)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2c(Cl)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.C=P(C)(C)CC[C@H]1O[C@@H](n2c(F)nc3c(N)ccnc32)[C@H](O)[C@@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

The InChIKey is WCBFYRLFTRFDFQ-AHVXYFRQSA-N. The full InChI is InChI=1S/C19H31N4O3P.C18H29N4O3P.C15H22BrN4O3P.C15H22ClN4O3P.C15H22FN4O3P/c1-5-6-7-14-22-15-12(20)8-10-21-18(15)23(14)19-17(25)16(24)13(26-19)9-11-27(2,3)4;1-5-6-13-21-14-11(19)7-9-20-17(14)22(13)18-16(24)15(23)12(25-18)8-10-26(2,3)4;3*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/h8,10,13,16-17,19,24-25H,2,5-7,9,11H2,1,3-4H3,(H2,20,21);7,9,12,15-16,18,23-24H,2,5-6,8,10H2,1,3-4H3,(H2,19,20);3*4,6,9,11-12,14,21-22H,1,5,7H2,2-3H3,(H2,17,18)/t13-,16-,17-,19-;12-,15-,16-,18-;3*9-,11-,12-,14-/m11111/s1.

What are the key properties of (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol?

(2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol has a molecular weight of 1921.26 g/mol, XLogP of 7.51, 25 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(7-amino-2-bromoimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-butylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,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;(2R,3R,4S,5R)-2-(7-amino-2-fluoroimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol;(2R,3R,4S,5R)-2-(7-amino-2-propylimidazo[4,5-b]pyridin-3-yl)-5-[2-[dimethyl(methylidene)-λ5-phosphanyl]ethyl]oxolane-3,4-diol is sourced from PubChem (CID 161462980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).