[2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate

C24H24N5O5P — CID 138720897

About [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate

[2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate (PubChem CID 138720897) has the molecular formula C24H24N5O5P and a molecular weight of 493.46 g/mol. Its IUPAC name is [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate.

Molecular Properties

• Compound Name: [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate
• PubChem CID: 138720897
• Molecular Formula: C24H24N5O5P
• Molecular Weight: 493.46 g/mol
• Exact Mass: 493.15
• IUPAC Name: [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate
• SMILES: NC1C(c2cc(Cc3ccc(Cn4cc5ccccc5n4)cc3)no2)=CC=CN1COP(=O)(O)O
• InChI: InChI=1S/C24H24N5O5P/c25-24-21(5-3-11-28(24)16-33-35(30,31)32)23-13-20(27-34-23)12-17-7-9-18(10-8-17)14-29-15-19-4-1-2-6-22(19)26-29/h1-11,13,15,24H,12,14,16,25H2,(H2,30,31,32)
• InChIKey: MOMQDTVZRHUUHU-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 139.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.46
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate?

The IUPAC name of [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate (CID 138720897) is [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate.

What is the SMILES notation for [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate?

The canonical SMILES for [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate is NC1C(c2cc(Cc3ccc(Cn4cc5ccccc5n4)cc3)no2)=CC=CN1COP(=O)(O)O.

What is the InChIKey of [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate?

The InChIKey is MOMQDTVZRHUUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N5O5P/c25-24-21(5-3-11-28(24)16-33-35(30,31)32)23-13-20(27-34-23)12-17-7-9-18(10-8-17)14-29-15-19-4-1-2-6-22(19)26-29/h1-11,13,15,24H,12,14,16,25H2,(H2,30,31,32).

What are the key properties of [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate?

[2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate has a molecular weight of 493.46 g/mol, XLogP of 3.23, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-amino-3-[3-[[4-(indazol-2-ylmethyl)phenyl]methyl]-1,2-oxazol-5-yl]-2H-pyridin-1-yl]methyl dihydrogen phosphate is sourced from PubChem (CID 138720897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).