[5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol

C16H23FN4O2 — CID 154753606

About [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol

[5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol (PubChem CID 154753606) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

• Compound Name: [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol
• PubChem CID: 154753606
• Molecular Formula: C16H23FN4O2
• Molecular Weight: 322.38 g/mol
• Exact Mass: 322.18
• IUPAC Name: [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol
• SMILES: Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2ccc(CO)o2)cn1
• InChI: InChI=1S/C16H23FN4O2/c1-20-8-12(5-19-20)9-21-10-13(17)4-14(21)6-18-7-15-2-3-16(11-22)23-15/h2-3,5,8,13-14,18,22H,4,6-7,9-11H2,1H3/t13-,14-/m0/s1
• InChIKey: CNGSFZNWUWYZOI-KBPBESRZSA-N
• XLogP: 1.21
• TPSA: 66.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.38
LogP ≤ 5	1.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol?

The IUPAC name of [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol (CID 154753606) is [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol.

What is the SMILES notation for [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol?

The canonical SMILES for [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol is Cn1cc(CN2C[C@@H](F)C[C@H]2CNCc2ccc(CO)o2)cn1.

What is the InChIKey of [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol?

The InChIKey is CNGSFZNWUWYZOI-KBPBESRZSA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-20-8-12(5-19-20)9-21-10-13(17)4-14(21)6-18-7-15-2-3-16(11-22)23-15/h2-3,5,8,13-14,18,22H,4,6-7,9-11H2,1H3/t13-,14-/m0/s1.

What are the key properties of [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol?

[5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol has a molecular weight of 322.38 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 154753606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).