4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C25H22F3N7O3 — CID 171823178

About 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 171823178) has the molecular formula C25H22F3N7O3 and a molecular weight of 525.49 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
• PubChem CID: 171823178
• Molecular Formula: C25H22F3N7O3
• Molecular Weight: 525.49 g/mol
• Exact Mass: 525.17
• IUPAC Name: 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
• SMILES: Cn1ncc2c(N)nc3ccc(C(=O)N(Cc4ccc(C(F)(F)F)cn4)N4CC5(CCC5)OC4=O)cc3c21
• InChI: InChI=1S/C25H22F3N7O3/c1-33-20-17-9-14(3-6-19(17)32-21(29)18(20)11-31-33)22(36)34(35-13-24(7-2-8-24)38-23(35)37)12-16-5-4-15(10-30-16)25(26,27)28/h3-6,9-11H,2,7-8,12-13H2,1H3,(H2,29,32)
• InChIKey: QLJWALWRAZBZAH-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 119.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.49
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The IUPAC name of 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 171823178) is 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

What is the SMILES notation for 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The canonical SMILES for 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is Cn1ncc2c(N)nc3ccc(C(=O)N(Cc4ccc(C(F)(F)F)cn4)N4CC5(CCC5)OC4=O)cc3c21.

What is the InChIKey of 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The InChIKey is QLJWALWRAZBZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O3/c1-33-20-17-9-14(3-6-19(17)32-21(29)18(20)11-31-33)22(36)34(35-13-24(7-2-8-24)38-23(35)37)12-16-5-4-15(10-30-16)25(26,27)28/h3-6,9-11H,2,7-8,12-13H2,1H3,(H2,29,32).

What are the key properties of 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 525.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-methyl-N-(6-oxo-5-oxa-7-azaspiro[3.4]octan-7-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 171823178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).