4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile

C30H32N6O2 — CID 67543455

IUPAC4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile
SMILESCCC(C)C1c2nc(-c3ccccc3OC)cn2CCN1C(=O)Cc1cncn1Cc1ccc(C#N)cc1
InChIInChI=1S/C30H32N6O2/c1-4-21(2)29-30-33-26(25-7-5-6-8-27(25)38-3)19-34(30)13-14-36(29)28(37)15-24-17-32-20-35(24)18-23-11-9-22(16-31)10-12-23/h5-12,17,19-21,29H,4,13-15,18H2,1-3H3
InChIKeyRAVVYIHPOCGSKX-UHFFFAOYSA-N
MW508.63 g/mol
LogP4.85
Rot. Bonds8

About 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile

4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile (PubChem CID 67543455) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile
PubChem CID67543455
Molecular FormulaC30H32N6O2
Molecular Weight508.63 g/mol
Exact Mass508.26
IUPAC Name4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile
SMILESCCC(C)C1c2nc(-c3ccccc3OC)cn2CCN1C(=O)Cc1cncn1Cc1ccc(C#N)cc1
InChIInChI=1S/C30H32N6O2/c1-4-21(2)29-30-33-26(25-7-5-6-8-27(25)38-3)19-34(30)13-14-36(29)28(37)15-24-17-32-20-35(24)18-23-11-9-22(16-31)10-12-23/h5-12,17,19-21,29H,4,13-15,18H2,1-3H3
InChIKeyRAVVYIHPOCGSKX-UHFFFAOYSA-N
XLogP4.85
TPSA88.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile (CID 67543455) is 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile is CCC(C)C1c2nc(-c3ccccc3OC)cn2CCN1C(=O)Cc1cncn1Cc1ccc(C#N)cc1.
What is the InChIKey of 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile?
The InChIKey is RAVVYIHPOCGSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-4-21(2)29-30-33-26(25-7-5-6-8-27(25)38-3)19-34(30)13-14-36(29)28(37)15-24-17-32-20-35(24)18-23-11-9-22(16-31)10-12-23/h5-12,17,19-21,29H,4,13-15,18H2,1-3H3.
What are the key properties of 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile?
4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile has a molecular weight of 508.63 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[2-[8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]imidazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 67543455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).