2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide

C22H20F3N5O4 — CID 164907416

About 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide

2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide (PubChem CID 164907416) has the molecular formula C22H20F3N5O4 and a molecular weight of 475.43 g/mol. Its IUPAC name is 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
• PubChem CID: 164907416
• Molecular Formula: C22H20F3N5O4
• Molecular Weight: 475.43 g/mol
• Exact Mass: 475.15
• IUPAC Name: 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
• SMILES: Cc1cnc(CNC(=O)c2oc3ccc4cn(C[C@H]5COCCO5)nc4c3c2C(F)(F)F)cn1
• InChI: InChI=1S/C22H20F3N5O4/c1-12-6-27-14(7-26-12)8-28-21(31)20-18(22(23,24)25)17-16(34-20)3-2-13-9-30(29-19(13)17)10-15-11-32-4-5-33-15/h2-3,6-7,9,15H,4-5,8,10-11H2,1H3,(H,28,31)/t15-/m0/s1
• InChIKey: JYJGCIRCCOWBNA-HNNXBMFYSA-N
• XLogP: 3.25
• TPSA: 104.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.43
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide (CID 164907416) is 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide.

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

The canonical SMILES for 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide is Cc1cnc(CNC(=O)c2oc3ccc4cn(C[C@H]5COCCO5)nc4c3c2C(F)(F)F)cn1.

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

The InChIKey is JYJGCIRCCOWBNA-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20F3N5O4/c1-12-6-27-14(7-26-12)8-28-21(31)20-18(22(23,24)25)17-16(34-20)3-2-13-9-30(29-19(13)17)10-15-11-32-4-5-33-15/h2-3,6-7,9,15H,4-5,8,10-11H2,1H3,(H,28,31)/t15-/m0/s1.

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

2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide has a molecular weight of 475.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(5-methylpyrazin-2-yl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 164907416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).