6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide

C26H24F3N5O3 — CID 171699059

About 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide

6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide (PubChem CID 171699059) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide
• PubChem CID: 171699059
• Molecular Formula: C26H24F3N5O3
• Molecular Weight: 511.50 g/mol
• Exact Mass: 511.18
• IUPAC Name: 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide
• SMILES: Cc1ccc2nc(C(=O)Nc3cc(C4CCCCN4C(=O)c4c(C(F)(F)F)coc4C)[nH]n3)ccc2c1
• InChI: InChI=1S/C26H24F3N5O3/c1-14-6-8-18-16(11-14)7-9-19(30-18)24(35)31-22-12-20(32-33-22)21-5-3-4-10-34(21)25(36)23-15(2)37-13-17(23)26(27,28)29/h6-9,11-13,21H,3-5,10H2,1-2H3,(H2,31,32,33,35)
• InChIKey: JUJWWBHDRPVXDN-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 104.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.50
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide?

The IUPAC name of 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide (CID 171699059) is 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide.

What is the SMILES notation for 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide?

The canonical SMILES for 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide is Cc1ccc2nc(C(=O)Nc3cc(C4CCCCN4C(=O)c4c(C(F)(F)F)coc4C)[nH]n3)ccc2c1.

What is the InChIKey of 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide?

The InChIKey is JUJWWBHDRPVXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-14-6-8-18-16(11-14)7-9-19(30-18)24(35)31-22-12-20(32-33-22)21-5-3-4-10-34(21)25(36)23-15(2)37-13-17(23)26(27,28)29/h6-9,11-13,21H,3-5,10H2,1-2H3,(H2,31,32,33,35).

What are the key properties of 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide?

6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide has a molecular weight of 511.50 g/mol, XLogP of 5.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-[5-[1-[2-methyl-4-(trifluoromethyl)furan-3-carbonyl]piperidin-2-yl]-1H-pyrazol-3-yl]quinoline-2-carboxamide is sourced from PubChem (CID 171699059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).