1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

C24H27FN6O3 — CID 99744730

About 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 99744730) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 99744730
• Molecular Formula: C24H27FN6O3
• Molecular Weight: 466.52 g/mol
• Exact Mass: 466.21
• IUPAC Name: 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide
• SMILES: Cc1[nH]ncc1CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1
• InChI: InChI=1S/C24H27FN6O3/c1-15-18(11-28-29-15)10-26-23(32)17-6-8-30(9-7-17)24(33)22-20-13-34-21(12-31(20)14-27-22)16-2-4-19(25)5-3-16/h2-5,11,14,17,21H,6-10,12-13H2,1H3,(H,26,32)(H,28,29)/t21-/m1/s1
• InChIKey: FIWQMOIHVTULLT-OAQYLSRUSA-N
• XLogP: 2.49
• TPSA: 105.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.52
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 99744730) is 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is Cc1[nH]ncc1CNC(=O)C1CCN(C(=O)c2ncn3c2CO[C@@H](c2ccc(F)cc2)C3)CC1.

What is the InChIKey of 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?

The InChIKey is FIWQMOIHVTULLT-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-15-18(11-28-29-15)10-26-23(32)17-6-8-30(9-7-17)24(33)22-20-13-34-21(12-31(20)14-27-22)16-2-4-19(25)5-3-16/h2-5,11,14,17,21H,6-10,12-13H2,1H3,(H,26,32)(H,28,29)/t21-/m1/s1.

What are the key properties of 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide?

1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 466.52 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6S)-6-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carbonyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 99744730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).