cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C27H30FN5O2 — CID 118075473

About cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone

cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 118075473) has the molecular formula C27H30FN5O2 and a molecular weight of 475.57 g/mol. Its IUPAC name is cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
• PubChem CID: 118075473
• Molecular Formula: C27H30FN5O2
• Molecular Weight: 475.57 g/mol
• Exact Mass: 475.24
• IUPAC Name: cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
• SMILES: C[C@H]1CCc2c(ccc(-c3cnn(C4CCNCC4)c3)c2Oc2cccc(F)n2)N1C(=O)C1CC1
• InChI: InChI=1S/C27H30FN5O2/c1-17-5-8-22-23(33(17)27(34)18-6-7-18)10-9-21(26(22)35-25-4-2-3-24(28)31-25)19-15-30-32(16-19)20-11-13-29-14-12-20/h2-4,9-10,15-18,20,29H,5-8,11-14H2,1H3/t17-/m0/s1
• InChIKey: FBICOVZOJBJVSU-KRWDZBQOSA-N
• XLogP: 4.88
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.57
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

The IUPAC name of cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 118075473) is cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

What is the SMILES notation for cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

The canonical SMILES for cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is C[C@H]1CCc2c(ccc(-c3cnn(C4CCNCC4)c3)c2Oc2cccc(F)n2)N1C(=O)C1CC1.

What is the InChIKey of cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

The InChIKey is FBICOVZOJBJVSU-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H30FN5O2/c1-17-5-8-22-23(33(17)27(34)18-6-7-18)10-9-21(26(22)35-25-4-2-3-24(28)31-25)19-15-30-32(16-19)20-11-13-29-14-12-20/h2-4,9-10,15-18,20,29H,5-8,11-14H2,1H3/t17-/m0/s1.

What are the key properties of cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone?

cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 475.57 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[(2S)-5-[(6-fluoro-2-pyridinyl)oxy]-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 118075473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).