bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine

C60H75BrCl10F4N14O15P4 — CID 160873232

About bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine

bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine (PubChem CID 160873232) has the molecular formula C60H75BrCl10F4N14O15P4 and a molecular weight of 1866.67 g/mol. Its IUPAC name is bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine
• PubChem CID: 160873232
• Molecular Formula: C60H75BrCl10F4N14O15P4
• Molecular Weight: 1866.67 g/mol
• Exact Mass: 1860.05
• IUPAC Name: bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine
• SMILES: CC[C@H]1O[C@@H](n2cnc3c(Cl)cc(Cl)nc32)[C@@H](F)[C@@H]1C.CC[C@H]1O[C@H](Br)[C@@H](F)[C@@H]1C.Clc1cc(Cl)c2[nH]cnc2n1.O=P(Cl)(Cl)CP(=O)(Cl)Cl.O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@@H](F)[C@@H]1O.OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@@H](F)[C@@H]1O
• InChI: InChI=1S/C17H24ClFN4O8P2.C16H20ClFN4O3.C13H14Cl2FN3O.C7H12BrFO.C6H3Cl2N3.CH2Cl4O2P2/c18-12-5-10(21-9-3-1-2-4-9)14-16(22-12)23(7-20-14)17-13(19)15(24)11(31-17)6-30-33(28,29)8-32(25,26)27;17-11-5-9(20-8-3-1-2-4-8)13-15(21-11)22(7-19-13)16-12(18)14(24)10(6-23)25-16;1-3-8-6(2)10(16)13(20-8)19-5-17-11-7(14)4-9(15)18-12(11)19;1-3-5-4(2)6(9)7(8)10-5;7-3-1-4(8)11-6-5(3)9-2-10-6;2-8(3,6)1-9(4,5)7/h5,7,9,11,13,15,17,24H,1-4,6,8H2,(H,21,22)(H,28,29)(H2,25,26,27);5,7-8,10,12,14,16,23-24H,1-4,6H2,(H,20,21);4-6,8,10,13H,3H2,1-2H3;4-7H,3H2,1-2H3;1-2H,(H,9,10,11);1H2/t11-,13+,15-,17-;10-,12+,14-,16-;6-,8-,10+,13-;4-,5-,6+,7+;;/m1111../s1
• InChIKey: SMANBQQWQDHTDZ-AYXYYKGTSA-N
• XLogP: 17.46
• TPSA: 393.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1866.67
LogP ≤ 5	17.46
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine?

The IUPAC name of bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine (CID 160873232) is bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine is CC[C@H]1O[C@@H](n2cnc3c(Cl)cc(Cl)nc32)[C@@H](F)[C@@H]1C.CC[C@H]1O[C@H](Br)[C@@H](F)[C@@H]1C.Clc1cc(Cl)c2[nH]cnc2n1.O=P(Cl)(Cl)CP(=O)(Cl)Cl.O=P(O)(O)CP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@@H](F)[C@@H]1O.OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)cc(Cl)nc32)[C@@H](F)[C@@H]1O.

What is the InChIKey of bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine?

The InChIKey is SMANBQQWQDHTDZ-AYXYYKGTSA-N. The full InChI is InChI=1S/C17H24ClFN4O8P2.C16H20ClFN4O3.C13H14Cl2FN3O.C7H12BrFO.C6H3Cl2N3.CH2Cl4O2P2/c18-12-5-10(21-9-3-1-2-4-9)14-16(22-12)23(7-20-14)17-13(19)15(24)11(31-17)6-30-33(28,29)8-32(25,26)27;17-11-5-9(20-8-3-1-2-4-8)13-15(21-11)22(7-19-13)16-12(18)14(24)10(6-23)25-16;1-3-8-6(2)10(16)13(20-8)19-5-17-11-7(14)4-9(15)18-12(11)19;1-3-5-4(2)6(9)7(8)10-5;7-3-1-4(8)11-6-5(3)9-2-10-6;2-8(3,6)1-9(4,5)7/h5,7,9,11,13,15,17,24H,1-4,6,8H2,(H,21,22)(H,28,29)(H2,25,26,27);5,7-8,10,12,14,16,23-24H,1-4,6H2,(H,20,21);4-6,8,10,13H,3H2,1-2H3;4-7H,3H2,1-2H3;1-2H,(H,9,10,11);1H2/t11-,13+,15-,17-;10-,12+,14-,16-;6-,8-,10+,13-;4-,5-,6+,7+;;/m1111../s1.

What are the key properties of bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine?

bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine has a molecular weight of 1866.67 g/mol, XLogP of 17.46, 17 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dichlorophosphoryl)methane;(2R,3S,4R,5R)-2-bromo-5-ethyl-3-fluoro-4-methyloxolane;(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;[[(2R,3R,4S,5R)-5-[5-chloro-7-(cyclopentylamino)imidazo[4,5-b]pyridin-3-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid;5,7-dichloro-3-[(2R,3S,4R,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]imidazo[4,5-b]pyridine;5,7-dichloro-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 160873232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).