5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine

C21H19N5 — CID 141141580

IUPAC5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine
SMILESC[C@@H](c1ccccc1)N1CNc2ncc(-c3cc4ccccc4[nH]3)nc21
InChIInChI=1S/C21H19N5/c1-14(15-7-3-2-4-8-15)26-13-23-20-21(26)25-19(12-22-20)18-11-16-9-5-6-10-17(16)24-18/h2-12,14,24H,13H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyKCIFRSLWYJKXEO-AWEZNQCLSA-N
MW341.42 g/mol
LogP4.58
Rot. Bonds3

About 5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine

5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine (PubChem CID 141141580) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine
PubChem CID141141580
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine
SMILESC[C@@H](c1ccccc1)N1CNc2ncc(-c3cc4ccccc4[nH]3)nc21
InChIInChI=1S/C21H19N5/c1-14(15-7-3-2-4-8-15)26-13-23-20-21(26)25-19(12-22-20)18-11-16-9-5-6-10-17(16)24-18/h2-12,14,24H,13H2,1H3,(H,22,23)/t14-/m0/s1
InChIKeyKCIFRSLWYJKXEO-AWEZNQCLSA-N
XLogP4.58
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine?
The IUPAC name of 5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine (CID 141141580) is 5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine?
The canonical SMILES for 5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine is C[C@@H](c1ccccc1)N1CNc2ncc(-c3cc4ccccc4[nH]3)nc21.
What is the InChIKey of 5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine?
The InChIKey is KCIFRSLWYJKXEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H19N5/c1-14(15-7-3-2-4-8-15)26-13-23-20-21(26)25-19(12-22-20)18-11-16-9-5-6-10-17(16)24-18/h2-12,14,24H,13H2,1H3,(H,22,23)/t14-/m0/s1.
What are the key properties of 5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine?
5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine has a molecular weight of 341.42 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-2-yl)-3-[(1S)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyrazine is sourced from PubChem (CID 141141580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).