2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C22H26F3N3O4 — CID 156790578

About 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 156790578) has the molecular formula C22H26F3N3O4 and a molecular weight of 453.46 g/mol. Its IUPAC name is 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• PubChem CID: 156790578
• Molecular Formula: C22H26F3N3O4
• Molecular Weight: 453.46 g/mol
• Exact Mass: 453.19
• IUPAC Name: 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• SMILES: O=C(NCC1CCCO1)c1oc2c(c1C(F)(F)F)-c1nn(CC3CCOCC3)cc1CC2
• InChI: InChI=1S/C22H26F3N3O4/c23-22(24,25)18-17-16(32-20(18)21(29)26-10-15-2-1-7-31-15)4-3-14-12-28(27-19(14)17)11-13-5-8-30-9-6-13/h12-13,15H,1-11H2,(H,26,29)
• InChIKey: APYQRYNHRPGIJR-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 78.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.46
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The IUPAC name of 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 156790578) is 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

What is the SMILES notation for 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The canonical SMILES for 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is O=C(NCC1CCCO1)c1oc2c(c1C(F)(F)F)-c1nn(CC3CCOCC3)cc1CC2.

What is the InChIKey of 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The InChIKey is APYQRYNHRPGIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O4/c23-22(24,25)18-17-16(32-20(18)21(29)26-10-15-2-1-7-31-15)4-3-14-12-28(27-19(14)17)11-13-5-8-30-9-6-13/h12-13,15H,1-11H2,(H,26,29).

What are the key properties of 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 453.46 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(oxan-4-ylmethyl)-N-(oxolan-2-ylmethyl)-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 156790578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).