[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid

C58H92N15O25P3 — CID 165026495

About [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid

[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid (PubChem CID 165026495) has the molecular formula C58H92N15O25P3 and a molecular weight of 1492.38 g/mol. Its IUPAC name is [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid.

Molecular Properties

• Compound Name: [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid
• PubChem CID: 165026495
• Molecular Formula: C58H92N15O25P3
• Molecular Weight: 1492.38 g/mol
• Exact Mass: 1491.56
• IUPAC Name: [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid
• SMILES: CC(C)c1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(CO)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(CO)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.COCc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(CO)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1
• InChI: InChI=1S/C20H32N5O8P.C19H30N5O9P.C19H30N5O8P/c1-10(2)17-23-18(22-11-5-3-4-6-11)12-7-21-25(19(12)24-17)20-16(28)15(27)13(33-20)9-32-14(8-26)34(29,30)31;1-31-9-13-22-17(21-10-4-2-3-5-10)11-6-20-24(18(11)23-13)19-16(27)15(26)12(33-19)8-32-14(7-25)34(28,29)30;1-2-13-22-17(21-10-5-3-4-6-10)11-7-20-24(18(11)23-13)19-16(27)15(26)12(32-19)9-31-14(8-25)33(28,29)30/h7,10-11,13-16,20,26-28H,3-6,8-9H2,1-2H3,(H,22,23,24)(H2,29,30,31);6,10,12,14-16,19,25-27H,2-5,7-9H2,1H3,(H,21,22,23)(H2,28,29,30);7,10,12,14-16,19,25-27H,2-6,8-9H2,1H3,(H,21,22,23)(H2,28,29,30)/t13-,14?,15-,16-,20-;2*12-,14?,15-,16-,19-/m111/s1
• InChIKey: LYUTVKVXJUMWNA-QTFXLRCDSA-N
• XLogP: -0.23
• TPSA: 586.16 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 34
• Rotatable Bonds: 28
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1492.38
LogP ≤ 5	-0.23
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid?

The IUPAC name of [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid (CID 165026495) is [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid.

What is the SMILES notation for [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid?

The canonical SMILES for [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid is CC(C)c1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(CO)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.CCc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(CO)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.COCc1nc(NC2CCCC2)c2cnn([C@@H]3O[C@H](COC(CO)P(=O)(O)O)[C@@H](O)[C@H]3O)c2n1.

What is the InChIKey of [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid?

The InChIKey is LYUTVKVXJUMWNA-QTFXLRCDSA-N. The full InChI is InChI=1S/C20H32N5O8P.C19H30N5O9P.C19H30N5O8P/c1-10(2)17-23-18(22-11-5-3-4-6-11)12-7-21-25(19(12)24-17)20-16(28)15(27)13(33-20)9-32-14(8-26)34(29,30)31;1-31-9-13-22-17(21-10-4-2-3-5-10)11-6-20-24(18(11)23-13)19-16(27)15(26)12(33-19)8-32-14(7-25)34(28,29)30;1-2-13-22-17(21-10-5-3-4-6-10)11-7-20-24(18(11)23-13)19-16(27)15(26)12(32-19)9-31-14(8-25)33(28,29)30/h7,10-11,13-16,20,26-28H,3-6,8-9H2,1-2H3,(H,22,23,24)(H2,29,30,31);6,10,12,14-16,19,25-27H,2-5,7-9H2,1H3,(H,21,22,23)(H2,28,29,30);7,10,12,14-16,19,25-27H,2-6,8-9H2,1H3,(H,21,22,23)(H2,28,29,30)/t13-,14?,15-,16-,20-;2*12-,14?,15-,16-,19-/m111/s1.

What are the key properties of [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid?

[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid has a molecular weight of 1492.38 g/mol, XLogP of -0.23, 28 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-ethylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid;[1-[[(2R,3S,4R,5R)-5-[4-(cyclopentylamino)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]-2-hydroxyethyl]phosphonic acid is sourced from PubChem (CID 165026495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).