[2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid

C19H28ClN4O5P — CID 153359101

About [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid

[2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid (PubChem CID 153359101) has the molecular formula C19H28ClN4O5P and a molecular weight of 458.88 g/mol. Its IUPAC name is [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid.

Molecular Properties

• Compound Name: [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid
• PubChem CID: 153359101
• Molecular Formula: C19H28ClN4O5P
• Molecular Weight: 458.88 g/mol
• Exact Mass: 458.15
• IUPAC Name: [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid
• SMILES: CC(CO)(OCC1CCC(n2ncc3c(NC4CCCC4)cc(Cl)nc32)O1)P(O)O
• InChI: InChI=1S/C19H28ClN4O5P/c1-19(11-25,30(26)27)28-10-13-6-7-17(29-13)24-18-14(9-21-24)15(8-16(20)23-18)22-12-4-2-3-5-12/h8-9,12-13,17,25-27H,2-7,10-11H2,1H3,(H,22,23)
• InChIKey: HDZHQQYSBZGMHC-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 121.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.88
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid?

The IUPAC name of [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid (CID 153359101) is [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid.

What is the SMILES notation for [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid?

The canonical SMILES for [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid is CC(CO)(OCC1CCC(n2ncc3c(NC4CCCC4)cc(Cl)nc32)O1)P(O)O.

What is the InChIKey of [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid?

The InChIKey is HDZHQQYSBZGMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN4O5P/c1-19(11-25,30(26)27)28-10-13-6-7-17(29-13)24-18-14(9-21-24)15(8-16(20)23-18)22-12-4-2-3-5-12/h8-9,12-13,17,25-27H,2-7,10-11H2,1H3,(H,22,23).

What are the key properties of [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid?

[2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid has a molecular weight of 458.88 g/mol, XLogP of 3.14, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[5-[6-chloro-4-(cyclopentylamino)pyrazolo[5,4-b]pyridin-1-yl]oxolan-2-yl]methoxy]-1-hydroxypropan-2-yl]phosphonous acid is sourced from PubChem (CID 153359101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).