AQKVUORPZGTPTE-AWEZNQCLSA-N

C₂₃H₂₅FN₆O₃S — CID 121253626

About AQKVUORPZGTPTE-AWEZNQCLSA-N

AQKVUORPZGTPTE-AWEZNQCLSA-N (PubChem CID 121253626) has the molecular formula C₂₃H₂₅FN₆O₃S and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: AQKVUORPZGTPTE-AWEZNQCLSA-N
• PubChem CID: 121253626
• Molecular Formula: C₂₃H₂₅FN₆O₃S
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.17
• IUPAC Name: N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1
• InChI: InChI=1S/C23H25FN6O3S/c1-14-12-23(2,3)30(13-14)21-15(9-10-17(28-21)16-6-4-8-19(24)27-16)22(31)29-34(32,33)18-7-5-11-26-20(18)25/h4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31)/t14-/m0/s1
• InChIKey: AQKVUORPZGTPTE-AWEZNQCLSA-N
• XLogP: 3.00
• TPSA: 131.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of AQKVUORPZGTPTE-AWEZNQCLSA-N?

The IUPAC name of AQKVUORPZGTPTE-AWEZNQCLSA-N (CID 121253626) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

What is the SMILES notation for AQKVUORPZGTPTE-AWEZNQCLSA-N?

The canonical SMILES for AQKVUORPZGTPTE-AWEZNQCLSA-N is C[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.

What is the InChIKey of AQKVUORPZGTPTE-AWEZNQCLSA-N?

The InChIKey is AQKVUORPZGTPTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H25FN6O3S/c1-14-12-23(2,3)30(13-14)21-15(9-10-17(28-21)16-6-4-8-19(24)27-16)22(31)29-34(32,33)18-7-5-11-26-20(18)25/h4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31)/t14-/m0/s1.

What are the key properties of AQKVUORPZGTPTE-AWEZNQCLSA-N?

AQKVUORPZGTPTE-AWEZNQCLSA-N has a molecular weight of 484.56 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for AQKVUORPZGTPTE-AWEZNQCLSA-N is sourced from PubChem (CID 121253626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121253626 — identifiers, structure, computed properties (public domain)

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