2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide

C23H21F3N4O5 — CID 164907401

About 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide

2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide (PubChem CID 164907401) has the molecular formula C23H21F3N4O5 and a molecular weight of 490.44 g/mol. Its IUPAC name is 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
• PubChem CID: 164907401
• Molecular Formula: C23H21F3N4O5
• Molecular Weight: 490.44 g/mol
• Exact Mass: 490.15
• IUPAC Name: 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
• SMILES: COc1cccc(CNC(=O)c2oc3ccc4cn(C[C@H]5COCCO5)nc4c3c2C(F)(F)F)n1
• InChI: InChI=1S/C23H21F3N4O5/c1-32-17-4-2-3-14(28-17)9-27-22(31)21-19(23(24,25)26)18-16(35-21)6-5-13-10-30(29-20(13)18)11-15-12-33-7-8-34-15/h2-6,10,15H,7-9,11-12H2,1H3,(H,27,31)/t15-/m0/s1
• InChIKey: KDMKWEFRRVWGTB-HNNXBMFYSA-N
• XLogP: 3.55
• TPSA: 100.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.44
LogP ≤ 5	3.55
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-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?

The IUPAC name of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide (CID 164907401) is 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)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-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?

The canonical SMILES for 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide is COc1cccc(CNC(=O)c2oc3ccc4cn(C[C@H]5COCCO5)nc4c3c2C(F)(F)F)n1.

What is the InChIKey of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?

The InChIKey is KDMKWEFRRVWGTB-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H21F3N4O5/c1-32-17-4-2-3-14(28-17)9-27-22(31)21-19(23(24,25)26)18-16(35-21)6-5-13-10-30(29-20(13)18)11-15-12-33-7-8-34-15/h2-6,10,15H,7-9,11-12H2,1H3,(H,27,31)/t15-/m0/s1.

What are the key properties of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?

2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide has a molecular weight of 490.44 g/mol, XLogP of 3.55, 6 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-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 164907401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).