4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide

C23H20F4N6O — CID 174220847

About 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide

4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide (PubChem CID 174220847) has the molecular formula C23H20F4N6O and a molecular weight of 472.45 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide
• PubChem CID: 174220847
• Molecular Formula: C23H20F4N6O
• Molecular Weight: 472.45 g/mol
• Exact Mass: 472.16
• IUPAC Name: 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide
• SMILES: CC(c1ccc(C(F)(F)F)cn1)N(C(=O)c1cc2c(cc1F)nc(N)c1c2cnn1C)C1CC1
• InChI: InChI=1S/C23H20F4N6O/c1-11(18-6-3-12(9-29-18)23(25,26)27)33(13-4-5-13)22(34)15-7-14-16-10-30-32(2)20(16)21(28)31-19(14)8-17(15)24/h3,6-11,13H,4-5H2,1-2H3,(H2,28,31)
• InChIKey: CGCLWPVGBYTFSU-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.45
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide?

The IUPAC name of 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide (CID 174220847) is 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide.

What is the SMILES notation for 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide?

The canonical SMILES for 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide is CC(c1ccc(C(F)(F)F)cn1)N(C(=O)c1cc2c(cc1F)nc(N)c1c2cnn1C)C1CC1.

What is the InChIKey of 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide?

The InChIKey is CGCLWPVGBYTFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N6O/c1-11(18-6-3-12(9-29-18)23(25,26)27)33(13-4-5-13)22(34)15-7-14-16-10-30-32(2)20(16)21(28)31-19(14)8-17(15)24/h3,6-11,13H,4-5H2,1-2H3,(H2,28,31).

What are the key properties of 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide?

4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide has a molecular weight of 472.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-cyclopropyl-7-fluoro-3-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazolo[5,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 174220847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).