1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine

C56H88F4N6O4 — CID 156651474

About 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine

1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine (PubChem CID 156651474) has the molecular formula C56H88F4N6O4 and a molecular weight of 985.35 g/mol. Its IUPAC name is 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine.

Molecular Properties

• Compound Name: 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine
• PubChem CID: 156651474
• Molecular Formula: C56H88F4N6O4
• Molecular Weight: 985.35 g/mol
• Exact Mass: 984.68
• IUPAC Name: 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine
• SMILES: CC(C)c1ccc([C@H]2CCOC2)c(CN2CCC(F)(F)C2)n1.CCC(C)CF.CN(CF)Cc1nc(C(C)(C)C)ccc1[C@H]1CCOC1.CO[C@@H]1CCN(Cc2nc(C(C)C)ccc2[C@@H]2CCOC2)C1
• InChI: InChI=1S/C18H28N2O2.C17H24F2N2O.C16H25FN2O.C5H11F/c1-13(2)17-5-4-16(14-7-9-22-12-14)18(19-17)11-20-8-6-15(10-20)21-3;1-12(2)15-4-3-14(13-5-8-22-10-13)16(20-15)9-21-7-6-17(18,19)11-21;1-16(2,3)15-6-5-13(12-7-8-20-10-12)14(18-15)9-19(4)11-17;1-3-5(2)4-6/h4-5,13-15H,6-12H2,1-3H3;3-4,12-13H,5-11H2,1-2H3;5-6,12H,7-11H2,1-4H3;5H,3-4H2,1-2H3/t14-,15-;13-;12-;/m100./s1
• InChIKey: YBZMCPUELGOFFD-QRMGWYDESA-N
• XLogP: 11.72
• TPSA: 85.31 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 15
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	985.35
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine?

The IUPAC name of 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine (CID 156651474) is 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine.

What is the SMILES notation for 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine?

The canonical SMILES for 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine is CC(C)c1ccc([C@H]2CCOC2)c(CN2CCC(F)(F)C2)n1.CCC(C)CF.CN(CF)Cc1nc(C(C)(C)C)ccc1[C@H]1CCOC1.CO[C@@H]1CCN(Cc2nc(C(C)C)ccc2[C@@H]2CCOC2)C1.

What is the InChIKey of 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine?

The InChIKey is YBZMCPUELGOFFD-QRMGWYDESA-N. The full InChI is InChI=1S/C18H28N2O2.C17H24F2N2O.C16H25FN2O.C5H11F/c1-13(2)17-5-4-16(14-7-9-22-12-14)18(19-17)11-20-8-6-15(10-20)21-3;1-12(2)15-4-3-14(13-5-8-22-10-13)16(20-15)9-21-7-6-17(18,19)11-21;1-16(2,3)15-6-5-13(12-7-8-20-10-12)14(18-15)9-19(4)11-17;1-3-5(2)4-6/h4-5,13-15H,6-12H2,1-3H3;3-4,12-13H,5-11H2,1-2H3;5-6,12H,7-11H2,1-4H3;5H,3-4H2,1-2H3/t14-,15-;13-;12-;/m100./s1.

What are the key properties of 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine?

1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine has a molecular weight of 985.35 g/mol, XLogP of 11.72, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-tert-butyl-3-[(3R)-oxolan-3-yl]-2-pyridinyl]-N-(fluoromethyl)-N-methylmethanamine;2-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-[(3R)-oxolan-3-yl]-6-propan-2-ylpyridine;1-fluoro-2-methylbutane;2-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-3-[(3S)-oxolan-3-yl]-6-propan-2-ylpyridine is sourced from PubChem (CID 156651474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).