4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

C24H22F3N7O2 — CID 174377437

About 4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide

4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (PubChem CID 174377437) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide
• PubChem CID: 174377437
• Molecular Formula: C24H22F3N7O2
• Molecular Weight: 497.48 g/mol
• Exact Mass: 497.18
• IUPAC Name: 4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-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)N4CC5CC4CO5)cc3c21
• InChI: InChI=1S/C24H22F3N7O2/c1-32-21-18-6-13(2-5-20(18)31-22(28)19(21)9-30-32)23(35)34(33-11-17-7-16(33)12-36-17)10-15-4-3-14(8-29-15)24(25,26)27/h2-6,8-9,16-17H,7,10-12H2,1H3,(H2,28,31)
• InChIKey: HPURLRGNAGXAMJ-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 102.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.48
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The IUPAC name of 4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide (CID 174377437) is 4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-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-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The canonical SMILES for 4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-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)N4CC5CC4CO5)cc3c21.

What is the InChIKey of 4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

The InChIKey is HPURLRGNAGXAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c1-32-21-18-6-13(2-5-20(18)31-22(28)19(21)9-30-32)23(35)34(33-11-17-7-16(33)12-36-17)10-15-4-3-14(8-29-15)24(25,26)27/h2-6,8-9,16-17H,7,10-12H2,1H3,(H2,28,31).

What are the key properties of 4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide?

4-amino-1-methyl-N-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 3.15, 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-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazolo[4,5-c]quinoline-8-carboxamide is sourced from PubChem (CID 174377437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).