[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone

C22H20F4N4O2 — CID 136762161

About [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone

[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 136762161) has the molecular formula C22H20F4N4O2 and a molecular weight of 448.42 g/mol. Its IUPAC name is [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

• Compound Name: [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
• PubChem CID: 136762161
• Molecular Formula: C22H20F4N4O2
• Molecular Weight: 448.42 g/mol
• Exact Mass: 448.15
• IUPAC Name: [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone
• SMILES: C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2
• InChI: InChI=1S/C22H20F4N4O2/c1-12-4-5-13-9-14(23)6-7-17(13)29(12)21(31)16-11-20-27-15(18-3-2-8-32-18)10-19(22(24,25)26)30(20)28-16/h2-3,6-9,11-12,15,19,27H,4-5,10H2,1H3/t12-,15-,19-/m1/s1
• InChIKey: XYAHVIMQWBBBKK-KPAZRMRSSA-N
• XLogP: 5.26
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.42
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone?

The IUPAC name of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 136762161) is [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone.

What is the SMILES notation for [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone?

The canonical SMILES for [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone is C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2.

What is the InChIKey of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone?

The InChIKey is XYAHVIMQWBBBKK-KPAZRMRSSA-N. The full InChI is InChI=1S/C22H20F4N4O2/c1-12-4-5-13-9-14(23)6-7-17(13)29(12)21(31)16-11-20-27-15(18-3-2-8-32-18)10-19(22(24,25)26)30(20)28-16/h2-3,6-9,11-12,15,19,27H,4-5,10H2,1H3/t12-,15-,19-/m1/s1.

What are the key properties of [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone?

[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 448.42 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[(5R,7R)-5-(furan-2-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 136762161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).