ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium

C25H35FN7OSU- — CID 176689651

About ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium

ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium (PubChem CID 176689651) has the molecular formula C25H35FN7OSU- and a molecular weight of 738.70 g/mol. Its IUPAC name is ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium.

Molecular Properties

• Compound Name: ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium
• PubChem CID: 176689651
• Molecular Formula: C25H35FN7OSU-
• Molecular Weight: 738.70 g/mol
• Exact Mass: 738.31
• IUPAC Name: ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium
• SMILES: C=C1NC(C2CCN(C3CCN(c4ccc(C(=O)NC)nc4F)CC3)C2)=CN2NCC([S-])=C12.CC.[U]
• InChI: InChI=1S/C23H30FN7OS.C2H6.U/c1-14-21-20(33)11-26-31(21)13-18(27-14)15-5-8-30(12-15)16-6-9-29(10-7-16)19-4-3-17(23(32)25-2)28-22(19)24;1-2;/h3-4,13,15-16,26-27,33H,1,5-12H2,2H3,(H,25,32);1-2H3;/p-1
• InChIKey: WZCPFGJOOFEACN-UHFFFAOYSA-M
• XLogP: 2.43
• TPSA: 75.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	738.70
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium?

The IUPAC name of ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium (CID 176689651) is ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium.

What is the SMILES notation for ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium?

The canonical SMILES for ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium is C=C1NC(C2CCN(C3CCN(c4ccc(C(=O)NC)nc4F)CC3)C2)=CN2NCC([S-])=C12.CC.[U].

What is the InChIKey of ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium?

The InChIKey is WZCPFGJOOFEACN-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H30FN7OS.C2H6.U/c1-14-21-20(33)11-26-31(21)13-18(27-14)15-5-8-30(12-15)16-6-9-29(10-7-16)19-4-3-17(23(32)25-2)28-22(19)24;1-2;/h3-4,13,15-16,26-27,33H,1,5-12H2,2H3,(H,25,32);1-2H3;/p-1.

What are the key properties of ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium?

ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium has a molecular weight of 738.70 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;6-[1-[1-[2-fluoro-6-(methylcarbamoyl)-3-pyridinyl]piperidin-4-yl]pyrrolidin-3-yl]-4-methylidene-2,5-dihydro-1H-pyrazolo[1,5-a]pyrazine-3-thiolate;uranium is sourced from PubChem (CID 176689651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).