5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine

C19H24N6 — CID 90722764

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine
SMILESC[C@@H](c1ccccc1)n1cnc2ncc(CN3CCN(C)CC3)nc21
InChIInChI=1S/C19H24N6/c1-15(16-6-4-3-5-7-16)25-14-21-18-19(25)22-17(12-20-18)13-24-10-8-23(2)9-11-24/h3-7,12,14-15H,8-11,13H2,1-2H3/t15-/m0/s1
InChIKeyAOOBKIYNHPNTFX-HNNXBMFYSA-N
MW336.44 g/mol
LogP2.18
Rot. Bonds4

About 5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine

5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine (PubChem CID 90722764) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine
PubChem CID90722764
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine
SMILESC[C@@H](c1ccccc1)n1cnc2ncc(CN3CCN(C)CC3)nc21
InChIInChI=1S/C19H24N6/c1-15(16-6-4-3-5-7-16)25-14-21-18-19(25)22-17(12-20-18)13-24-10-8-23(2)9-11-24/h3-7,12,14-15H,8-11,13H2,1-2H3/t15-/m0/s1
InChIKeyAOOBKIYNHPNTFX-HNNXBMFYSA-N
XLogP2.18
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine (CID 90722764) is 5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine is C[C@@H](c1ccccc1)n1cnc2ncc(CN3CCN(C)CC3)nc21.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine?
The InChIKey is AOOBKIYNHPNTFX-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N6/c1-15(16-6-4-3-5-7-16)25-14-21-18-19(25)22-17(12-20-18)13-24-10-8-23(2)9-11-24/h3-7,12,14-15H,8-11,13H2,1-2H3/t15-/m0/s1.
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine?
5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine has a molecular weight of 336.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-3-[(1S)-1-phenylethyl]imidazo[4,5-b]pyrazine is sourced from PubChem (CID 90722764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).