2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

C26H31F3N4O4 — CID 156517918

About 2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide

2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (PubChem CID 156517918) has the molecular formula C26H31F3N4O4 and a molecular weight of 520.55 g/mol. Its IUPAC name is 2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

Molecular Properties

• Compound Name: 2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• PubChem CID: 156517918
• Molecular Formula: C26H31F3N4O4
• Molecular Weight: 520.55 g/mol
• Exact Mass: 520.23
• IUPAC Name: 2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
• SMILES: O=C(NC[C@@H]1CCCO1)c1oc2c(c1C(F)(F)F)-c1nn(CC3CCN(C(=O)C4CC4)CC3)cc1CC2
• InChI: InChI=1S/C26H31F3N4O4/c27-26(28,29)21-20-19(37-23(21)24(34)30-12-18-2-1-11-36-18)6-5-17-14-33(31-22(17)20)13-15-7-9-32(10-8-15)25(35)16-3-4-16/h14-16,18H,1-13H2,(H,30,34)/t18-/m0/s1
• InChIKey: URLZOAAWTHNCDI-SFHVURJKSA-N
• XLogP: 3.82
• TPSA: 89.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.55
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide (CID 156517918) is 2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide.

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

The canonical SMILES for 2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is O=C(NC[C@@H]1CCCO1)c1oc2c(c1C(F)(F)F)-c1nn(CC3CCN(C(=O)C4CC4)CC3)cc1CC2.

What is the InChIKey of 2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide?

The InChIKey is URLZOAAWTHNCDI-SFHVURJKSA-N. The full InChI is InChI=1S/C26H31F3N4O4/c27-26(28,29)21-20-19(37-23(21)24(34)30-12-18-2-1-11-36-18)6-5-17-14-33(31-22(17)20)13-15-7-9-32(10-8-15)25(35)16-3-4-16/h14-16,18H,1-13H2,(H,30,34)/t18-/m0/s1.

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

2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide has a molecular weight of 520.55 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 156517918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).