6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile

C17H21FN6 — CID 128967048

About 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile

6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile (PubChem CID 128967048) has the molecular formula C17H21FN6 and a molecular weight of 328.40 g/mol. Its IUPAC name is 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile
• PubChem CID: 128967048
• Molecular Formula: C17H21FN6
• Molecular Weight: 328.40 g/mol
• Exact Mass: 328.18
• IUPAC Name: 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile
• SMILES: CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)c1ccc(C#N)cn1
• InChI: InChI=1S/C17H21FN6/c1-22(17-4-3-13(8-19)9-20-17)11-16-7-14(18)10-24(16)12-15-5-6-21-23(15)2/h3-6,9,14,16H,7,10-12H2,1-2H3/t14-,16-/m0/s1
• InChIKey: ZEAYWCWEUSMILD-HOCLYGCPSA-N
• XLogP: 1.74
• TPSA: 60.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.40
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile?

The IUPAC name of 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile (CID 128967048) is 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile?

The canonical SMILES for 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile is CN(C[C@@H]1C[C@H](F)CN1Cc1ccnn1C)c1ccc(C#N)cn1.

What is the InChIKey of 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile?

The InChIKey is ZEAYWCWEUSMILD-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H21FN6/c1-22(17-4-3-13(8-19)9-20-17)11-16-7-14(18)10-24(16)12-15-5-6-21-23(15)2/h3-6,9,14,16H,7,10-12H2,1-2H3/t14-,16-/m0/s1.

What are the key properties of 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile?

6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile has a molecular weight of 328.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(2S,4S)-4-fluoro-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 128967048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).