N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine

C23H23FN6 — CID 95835693

About N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine

N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine (PubChem CID 95835693) has the molecular formula C23H23FN6 and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
• PubChem CID: 95835693
• Molecular Formula: C23H23FN6
• Molecular Weight: 402.48 g/mol
• Exact Mass: 402.20
• IUPAC Name: N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine
• SMILES: Cn1cc(CN2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c2cc(F)ccc21
• InChI: InChI=1S/C23H23FN6/c1-29-14-16(18-12-17(24)7-8-20(18)29)15-30-11-3-5-21(30)19-4-2-6-22(27-19)28-23-13-25-9-10-26-23/h2,4,6-10,12-14,21H,3,5,11,15H2,1H3,(H,26,27,28)/t21-/m0/s1
• InChIKey: KSKAOXYDUFMMJS-NRFANRHFSA-N
• XLogP: 4.58
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.48
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?

The IUPAC name of N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine (CID 95835693) is N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine.

What is the SMILES notation for N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?

The canonical SMILES for N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine is Cn1cc(CN2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c2cc(F)ccc21.

What is the InChIKey of N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?

The InChIKey is KSKAOXYDUFMMJS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H23FN6/c1-29-14-16(18-12-17(24)7-8-20(18)29)15-30-11-3-5-21(30)19-4-2-6-22(27-19)28-23-13-25-9-10-26-23/h2,4,6-10,12-14,21H,3,5,11,15H2,1H3,(H,26,27,28)/t21-/m0/s1.

What are the key properties of N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine?

N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine has a molecular weight of 402.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(2S)-1-[(5-fluoro-1-methylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 95835693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).