N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide

C26H19F4N5O2 — CID 176741227

About N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide

N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 176741227) has the molecular formula C26H19F4N5O2 and a molecular weight of 509.46 g/mol. Its IUPAC name is N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide
• PubChem CID: 176741227
• Molecular Formula: C26H19F4N5O2
• Molecular Weight: 509.46 g/mol
• Exact Mass: 509.15
• IUPAC Name: N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide
• SMILES: C[C@H](NC(=O)c1ccc2c(c1)c1nn(C)cc1c(=O)n2-c1ccc(C(F)(F)F)cc1)c1ncccc1F
• InChI: InChI=1S/C26H19F4N5O2/c1-14(22-20(27)4-3-11-31-22)32-24(36)15-5-10-21-18(12-15)23-19(13-34(2)33-23)25(37)35(21)17-8-6-16(7-9-17)26(28,29)30/h3-14H,1-2H3,(H,32,36)/t14-/m0/s1
• InChIKey: KURIXSWSTBXLTI-AWEZNQCLSA-N
• XLogP: 4.92
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.46
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide (CID 176741227) is N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide.

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

The canonical SMILES for N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)c1nn(C)cc1c(=O)n2-c1ccc(C(F)(F)F)cc1)c1ncccc1F.

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

The InChIKey is KURIXSWSTBXLTI-AWEZNQCLSA-N. The full InChI is InChI=1S/C26H19F4N5O2/c1-14(22-20(27)4-3-11-31-22)32-24(36)15-5-10-21-18(12-15)23-19(13-34(2)33-23)25(37)35(21)17-8-6-16(7-9-17)26(28,29)30/h3-14H,1-2H3,(H,32,36)/t14-/m0/s1.

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

N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 509.46 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 176741227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).