(6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide

C24H23F3N6O3 — CID 167145089

About (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide

(6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 167145089) has the molecular formula C24H23F3N6O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
• PubChem CID: 167145089
• Molecular Formula: C24H23F3N6O3
• Molecular Weight: 500.48 g/mol
• Exact Mass: 500.18
• IUPAC Name: (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide
• SMILES: [H]/N=C/C1(NC(=O)[C@@H]2CCc3c(-c4cncc(OC(F)F)c4)nn(-c4ccc(F)cn4)c3C2)CCOC1
• InChI: InChI=1S/C24H23F3N6O3/c25-16-2-4-20(30-10-16)33-19-8-14(22(34)31-24(12-28)5-6-35-13-24)1-3-18(19)21(32-33)15-7-17(11-29-9-15)36-23(26)27/h2,4,7,9-12,14,23,28H,1,3,5-6,8,13H2,(H,31,34)/b28-12+/t14-,24?/m1/s1
• InChIKey: PUGJNSOVMBMEON-ZCUCYIEBSA-N
• XLogP: 3.10
• TPSA: 115.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.48
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?

The IUPAC name of (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 167145089) is (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide.

What is the SMILES notation for (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?

The canonical SMILES for (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide is [H]/N=C/C1(NC(=O)[C@@H]2CCc3c(-c4cncc(OC(F)F)c4)nn(-c4ccc(F)cn4)c3C2)CCOC1.

What is the InChIKey of (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?

The InChIKey is PUGJNSOVMBMEON-ZCUCYIEBSA-N. The full InChI is InChI=1S/C24H23F3N6O3/c25-16-2-4-20(30-10-16)33-19-8-14(22(34)31-24(12-28)5-6-35-13-24)1-3-18(19)21(32-33)15-7-17(11-29-9-15)36-23(26)27/h2,4,7,9-12,14,23,28H,1,3,5-6,8,13H2,(H,31,34)/b28-12+/t14-,24?/m1/s1.

What are the key properties of (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide?

(6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-N-(3-methanimidoyloxolan-3-yl)-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 167145089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).