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

C23H21F2N5O — CID 67089912

IUPAC[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C23H21F2N5O/c24-17-10-20-21(11-18(17)25)29-22(13-27-20)28-12-16-3-1-2-8-30(16)23(31)15-5-4-14-6-7-26-19(14)9-15/h4-7,9-11,13,16,26H,1-3,8,12H2,(H,28,29)/t16-/m0/s1
InChIKeyYOHFCOWCVWGRIS-INIZCTEOSA-N
MW421.45 g/mol
LogP4.50
Rot. Bonds4

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

[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone (PubChem CID 67089912) has the molecular formula C23H21F2N5O and a molecular weight of 421.45 g/mol. Its IUPAC name is [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
PubChem CID67089912
Molecular FormulaC23H21F2N5O
Molecular Weight421.45 g/mol
Exact Mass421.17
IUPAC Name[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone
SMILESO=C(c1ccc2cc[nH]c2c1)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C23H21F2N5O/c24-17-10-20-21(11-18(17)25)29-22(13-27-20)28-12-16-3-1-2-8-30(16)23(31)15-5-4-14-6-7-26-19(14)9-15/h4-7,9-11,13,16,26H,1-3,8,12H2,(H,28,29)/t16-/m0/s1
InChIKeyYOHFCOWCVWGRIS-INIZCTEOSA-N
XLogP4.50
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone with MolForge

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Related Compounds

3H-benzimidazol-5-yl-[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 10295783
1H-indol-5-yl-[2-[(pyrido[2,3-b]pyrazin-2-ylamino)methyl]piperidin-1-yl]methanone
CID 10134749
2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 67090810
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 10296530
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-naphthalen-1-ylmethanone
CID 67090343
1-[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 138650688
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1-methylindol-2-yl)methanone
CID 67090360
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 10298609
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 67090606
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[2-[3-(dimethylamino)propoxy]phenyl]methanone
CID 10227845
[2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-1-methyltriazol-4-yl]methanone
CID 67090365
[2-(hydroxymethyl)azepan-1-yl]-(1H-indol-6-yl)methanone
CID 116635828

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
The IUPAC name of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone (CID 67089912) is [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone.
What is the SMILES notation for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
The canonical SMILES for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone is O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@H]1CNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
The InChIKey is YOHFCOWCVWGRIS-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21F2N5O/c24-17-10-20-21(11-18(17)25)29-22(13-27-20)28-12-16-3-1-2-8-30(16)23(31)15-5-4-14-6-7-26-19(14)9-15/h4-7,9-11,13,16,26H,1-3,8,12H2,(H,28,29)/t16-/m0/s1.
What are the key properties of [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone?
[(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone has a molecular weight of 421.45 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]piperidin-1-yl]-(1H-indol-6-yl)methanone is sourced from PubChem (CID 67089912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).