[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone

C24H23F2N5O — CID 67090360

About [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone

[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone (PubChem CID 67090360) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone.

Molecular Properties

• Compound Name: [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
• PubChem CID: 67090360
• Molecular Formula: C24H23F2N5O
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
• SMILES: Cn1c(C(=O)N2CCCC[C@H]2CNc2cnc3cc(F)c(F)cc3n2)cc2ccccc21
• InChI: InChI=1S/C24H23F2N5O/c1-30-21-8-3-2-6-15(21)10-22(30)24(32)31-9-5-4-7-16(31)13-28-23-14-27-19-11-17(25)18(26)12-20(19)29-23/h2-3,6,8,10-12,14,16H,4-5,7,9,13H2,1H3,(H,28,29)/t16-/m0/s1
• InChIKey: GKUFKZMSKXLWAL-INIZCTEOSA-N
• XLogP: 4.51
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?

The IUPAC name of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone (CID 67090360) is [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone.

What is the SMILES notation for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?

The canonical SMILES for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone is Cn1c(C(=O)N2CCCC[C@H]2CNc2cnc3cc(F)c(F)cc3n2)cc2ccccc21.

What is the InChIKey of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?

The InChIKey is GKUFKZMSKXLWAL-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-30-21-8-3-2-6-15(21)10-22(30)24(32)31-9-5-4-7-16(31)13-28-23-14-27-19-11-17(25)18(26)12-20(19)29-23/h2-3,6,8,10-12,14,16H,4-5,7,9,13H2,1H3,(H,28,29)/t16-/m0/s1.

What are the key properties of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone?

[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone has a molecular weight of 435.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 67090360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).