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

C16H19FN6 — CID 128967632

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

2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 128967632) has the molecular formula C16H19FN6 and a molecular weight of 314.37 g/mol. Its IUPAC name is 2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
• PubChem CID: 128967632
• Molecular Formula: C16H19FN6
• Molecular Weight: 314.37 g/mol
• Exact Mass: 314.17
• IUPAC Name: 2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile
• SMILES: Cn1cc(CN2C[C@@H](F)C[C@H]2CNc2ncccc2C#N)cn1
• InChI: InChI=1S/C16H19FN6/c1-22-9-12(7-21-22)10-23-11-14(17)5-15(23)8-20-16-13(6-18)3-2-4-19-16/h2-4,7,9,14-15H,5,8,10-11H2,1H3,(H,19,20)/t14-,15-/m0/s1
• InChIKey: YDZXQAVOXURLBZ-GJZGRUSLSA-N
• XLogP: 1.71
• TPSA: 69.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.37
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile (CID 128967632) is 2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile.

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

The canonical SMILES for 2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile is Cn1cc(CN2C[C@@H](F)C[C@H]2CNc2ncccc2C#N)cn1.

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

The InChIKey is YDZXQAVOXURLBZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H19FN6/c1-22-9-12(7-21-22)10-23-11-14(17)5-15(23)8-20-16-13(6-18)3-2-4-19-16/h2-4,7,9,14-15H,5,8,10-11H2,1H3,(H,19,20)/t14-,15-/m0/s1.

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

2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 314.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 128967632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).