8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C21H25F2N3O6 — CID 156517186

About 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 156517186) has the molecular formula C21H25F2N3O6 and a molecular weight of 453.44 g/mol. Its IUPAC name is 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

• Compound Name: 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• PubChem CID: 156517186
• Molecular Formula: C21H25F2N3O6
• Molecular Weight: 453.44 g/mol
• Exact Mass: 453.17
• IUPAC Name: 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• SMILES: O=C(NC[C@@H]1COCCO1)c1oc2c(c1C(F)F)-c1nn(C[C@H]3COCCO3)cc1CC2
• InChI: InChI=1S/C21H25F2N3O6/c22-20(23)17-16-15(32-19(17)21(27)24-7-13-10-28-3-5-30-13)2-1-12-8-26(25-18(12)16)9-14-11-29-4-6-31-14/h8,13-14,20H,1-7,9-11H2,(H,24,27)/t13-,14+/m1/s1
• InChIKey: UKIFZGJTMOMRAW-KGLIPLIRSA-N
• XLogP: 1.74
• TPSA: 96.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.44
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The IUPAC name of 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 156517186) is 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

What is the SMILES notation for 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The canonical SMILES for 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is O=C(NC[C@@H]1COCCO1)c1oc2c(c1C(F)F)-c1nn(C[C@H]3COCCO3)cc1CC2.

What is the InChIKey of 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The InChIKey is UKIFZGJTMOMRAW-KGLIPLIRSA-N. The full InChI is InChI=1S/C21H25F2N3O6/c22-20(23)17-16-15(32-19(17)21(27)24-7-13-10-28-3-5-30-13)2-1-12-8-26(25-18(12)16)9-14-11-29-4-6-31-14/h8,13-14,20H,1-7,9-11H2,(H,24,27)/t13-,14+/m1/s1.

What are the key properties of 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 453.44 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(difluoromethyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-[[(2S)-1,4-dioxan-2-yl]methyl]-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 156517186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).