1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+)

C23H18FI2N7OU — CID 163843869

About 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+)

1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+) (PubChem CID 163843869) has the molecular formula C23H18FI2N7OU and a molecular weight of 919.28 g/mol. Its IUPAC name is 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+).

Molecular Properties

• Compound Name: 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+)
• PubChem CID: 163843869
• Molecular Formula: C23H18FI2N7OU
• Molecular Weight: 919.28 g/mol
• Exact Mass: 919.02
• IUPAC Name: 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+)
• SMILES: C=CC(=O)N1CC[C@@H](n2nc(-c3cc[c-]nc3F)c3c(N)ncnc32)C1.Ic1[c-]c(I)ccc1.[U+2]
• InChI: InChI=1S/C17H15FN7O.C6H3I2.U/c1-2-12(26)24-7-5-10(8-24)25-17-13(16(19)21-9-22-17)14(23-25)11-4-3-6-20-15(11)18;7-5-2-1-3-6(8)4-5;/h2-4,9-10H,1,5,7-8H2,(H2,19,21,22);1-3H;/q2*-1;+2/t10-;;/m1../s1
• InChIKey: MIOWEQUKYBZACU-YQFADDPSSA-N
• XLogP: 4.07
• TPSA: 102.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	919.28
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+)?

The IUPAC name of 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+) (CID 163843869) is 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+).

What is the SMILES notation for 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+)?

The canonical SMILES for 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+) is C=CC(=O)N1CC[C@@H](n2nc(-c3cc[c-]nc3F)c3c(N)ncnc32)C1.Ic1[c-]c(I)ccc1.[U+2].

What is the InChIKey of 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+)?

The InChIKey is MIOWEQUKYBZACU-YQFADDPSSA-N. The full InChI is InChI=1S/C17H15FN7O.C6H3I2.U/c1-2-12(26)24-7-5-10(8-24)25-17-13(16(19)21-9-22-17)14(23-25)11-4-3-6-20-15(11)18;7-5-2-1-3-6(8)4-5;/h2-4,9-10H,1,5,7-8H2,(H2,19,21,22);1-3H;/q2*-1;+2/t10-;;/m1../s1.

What are the key properties of 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+)?

1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+) has a molecular weight of 919.28 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[4-amino-3-(6-fluoro-2H-pyridin-2-id-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]pyrrolidin-1-yl]prop-2-en-1-one;1,3-diiodobenzene-2-ide;uranium(2+) is sourced from PubChem (CID 163843869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).