2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide

C26H20F3N5O2 — CID 176741221

About 2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide

2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide (PubChem CID 176741221) has the molecular formula C26H20F3N5O2 and a molecular weight of 491.47 g/mol. Its IUPAC name is 2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide
• PubChem CID: 176741221
• Molecular Formula: C26H20F3N5O2
• Molecular Weight: 491.47 g/mol
• Exact Mass: 491.16
• IUPAC Name: 2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-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)c1ccccn1
• InChI: InChI=1S/C26H20F3N5O2/c1-15(21-5-3-4-12-30-21)31-24(35)16-6-11-22-19(13-16)23-20(14-33(2)32-23)25(36)34(22)18-9-7-17(8-10-18)26(27,28)29/h3-15H,1-2H3,(H,31,35)/t15-/m1/s1
• InChIKey: PIXZYOUMRLZAHG-OAHLLOKOSA-N
• XLogP: 4.78
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.47
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide (CID 176741221) is 2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide.

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

The canonical SMILES for 2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-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)c1ccccn1.

What is the InChIKey of 2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide?

The InChIKey is PIXZYOUMRLZAHG-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H20F3N5O2/c1-15(21-5-3-4-12-30-21)31-24(35)16-6-11-22-19(13-16)23-20(14-33(2)32-23)25(36)34(22)18-9-7-17(8-10-18)26(27,28)29/h3-15H,1-2H3,(H,31,35)/t15-/m1/s1.

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

2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide has a molecular weight of 491.47 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-oxo-N-[(1R)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]pyrazolo[4,3-c]quinoline-8-carboxamide is sourced from PubChem (CID 176741221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).