3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one

C23H29N5O2 — CID 70205097

IUPAC3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one
SMILESCCCCC1c2nc(-c3ccccc3OC)cn2CCN1CCC(=O)c1cnc[nH]1
InChIInChI=1S/C23H29N5O2/c1-3-4-8-20-23-26-19(17-7-5-6-9-22(17)30-2)15-28(23)13-12-27(20)11-10-21(29)18-14-24-16-25-18/h5-7,9,14-16,20H,3-4,8,10-13H2,1-2H3,(H,24,25)
InChIKeyKNIRRWKDABIVBX-UHFFFAOYSA-N
MW407.52 g/mol
LogP4.10
Rot. Bonds9

About 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one

3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one (PubChem CID 70205097) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one
PubChem CID70205097
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one
SMILESCCCCC1c2nc(-c3ccccc3OC)cn2CCN1CCC(=O)c1cnc[nH]1
InChIInChI=1S/C23H29N5O2/c1-3-4-8-20-23-26-19(17-7-5-6-9-22(17)30-2)15-28(23)13-12-27(20)11-10-21(29)18-14-24-16-25-18/h5-7,9,14-16,20H,3-4,8,10-13H2,1-2H3,(H,24,25)
InChIKeyKNIRRWKDABIVBX-UHFFFAOYSA-N
XLogP4.10
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one with MolForge

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Related Compounds

(Z)-4,5-diamino-1-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]pent-4-en-1-one
CID 142877969
(2R)-2-amino-3-[[(2R)-2-amino-3-[(8S)-8-hexyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[(8S)-8-hexyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 11506076
2-amino-3-[[2-amino-3-[8-hexyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[8-hexyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 10312793
2-amino-1-[2-(2-methoxyphenyl)-8-(2-methylpropyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
CID 10215991
(Z)-2-N-benzyl-4-[(8S)-8-butan-2-yl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]but-1-ene-1,2-diamine
CID 142005822
2-amino-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
CID 10309291
(2R)-2-amino-3-[[(2R)-2-amino-3-[(8S)-8-tert-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[(8S)-8-tert-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 12985902
2-amino-3-[[2-amino-3-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-oxopropyl]disulfanyl]-1-[2-(2-methoxyphenyl)-8-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 10175747
3-butyl-4-[4-(2-methoxyphenyl)benzoyl]-1-methylpiperazin-2-one
CID 131897843
2-(2-methoxyphenyl)-8-(2-tritylsulfanylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 22016807
8-butan-2-yl-2-(2-methoxyphenyl)-7-[(1-tritylimidazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 22016812
(2R)-2-amino-1-[8-cyclohexyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-3-sulfanylpropan-1-one
CID 11560683

Frequently Asked Questions

What is the IUPAC name of 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one?
The IUPAC name of 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one (CID 70205097) is 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one.
What is the SMILES notation for 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one?
The canonical SMILES for 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one is CCCCC1c2nc(-c3ccccc3OC)cn2CCN1CCC(=O)c1cnc[nH]1.
What is the InChIKey of 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one?
The InChIKey is KNIRRWKDABIVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-3-4-8-20-23-26-19(17-7-5-6-9-22(17)30-2)15-28(23)13-12-27(20)11-10-21(29)18-14-24-16-25-18/h5-7,9,14-16,20H,3-4,8,10-13H2,1-2H3,(H,24,25).
What are the key properties of 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one?
3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one has a molecular weight of 407.52 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-butyl-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-1-(1H-imidazol-5-yl)propan-1-one is sourced from PubChem (CID 70205097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).