3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

C26H28N6O — CID 54764907

IUPAC3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCN1CCN(Cc2cccc(-c3cnc4[nH]c(=O)n(C5Cc6ccccc6C5)c4n3)c2)CC1
InChIInChI=1S/C26H28N6O/c1-30-9-11-31(12-10-30)17-18-5-4-8-21(13-18)23-16-27-24-25(28-23)32(26(33)29-24)22-14-19-6-2-3-7-20(19)15-22/h2-8,13,16,22H,9-12,14-15,17H2,1H3,(H,27,29,33)
InChIKeyVZRSNPXARKCILA-UHFFFAOYSA-N
MW440.55 g/mol
LogP2.87
Rot. Bonds4

About 3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one

3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 54764907) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID54764907
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCN1CCN(Cc2cccc(-c3cnc4[nH]c(=O)n(C5Cc6ccccc6C5)c4n3)c2)CC1
InChIInChI=1S/C26H28N6O/c1-30-9-11-31(12-10-30)17-18-5-4-8-21(13-18)23-16-27-24-25(28-23)32(26(33)29-24)22-14-19-6-2-3-7-20(19)15-22/h2-8,13,16,22H,9-12,14-15,17H2,1H3,(H,27,29,33)
InChIKeyVZRSNPXARKCILA-UHFFFAOYSA-N
XLogP2.87
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one (CID 54764907) is 3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is CN1CCN(Cc2cccc(-c3cnc4[nH]c(=O)n(C5Cc6ccccc6C5)c4n3)c2)CC1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is VZRSNPXARKCILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-30-9-11-31(12-10-30)17-18-5-4-8-21(13-18)23-16-27-24-25(28-23)32(26(33)29-24)22-14-19-6-2-3-7-20(19)15-22/h2-8,13,16,22H,9-12,14-15,17H2,1H3,(H,27,29,33).
What are the key properties of 3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one?
3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 440.55 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-2-yl)-5-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 54764907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).