[4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

C24H23N5O2 — CID 136623815

IUPAC[4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1
InChIInChI=1S/C24H23N5O2/c1-27-10-12-28(13-11-27)24(31)19-4-2-17(3-5-19)21-16-29-22(14-26-23(29)15-25-21)18-6-8-20(30)9-7-18/h2-9,14-16,30H,10-13H2,1H3
InChIKeyZROBKNPXIOQRBD-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.16
Rot. Bonds3

About [4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone

[4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 136623815) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID136623815
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1
InChIInChI=1S/C24H23N5O2/c1-27-10-12-28(13-11-27)24(31)19-4-2-17(3-5-19)21-16-29-22(14-26-23(29)15-25-21)18-6-8-20(30)9-7-18/h2-9,14-16,30H,10-13H2,1H3
InChIKeyZROBKNPXIOQRBD-UHFFFAOYSA-N
XLogP3.16
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Dipyridodiazepinone deriv. 61
CID 463188
Zolpidem carboxylic acid
CID 11966044
1-[4-[3-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 134179255
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
Imidazo(1,2-a)pyridine-6-carboxylic acid, 3-(2-(dimethylamino)-2-oxoethyl)-2-(4-methylphenyl)-
CID 13691338
2-(6,8-Dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 25138872
N-butyl-2-[6,8-dichloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N-methylacetamide
CID 25140329
7-(4-methoxyphenyl)-2-[4-(piperidin-1-ylcarbonyl)phenyl]-3H-imidazo[4,5-b]pyridine
CID 16122967
(4-Methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone
CID 46948375
N-[2-(dimethylamino)ethyl]-4-[3-(4-phenoxyphenyl)-6-imidazo[1,2-a]pyrazinyl]benzamide
CID 49786470
4-[2-[8-[(3-Fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]benzoic acid
CID 89523537
4-[3-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenol
CID 117769710

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 136623815) is [4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1.
What is the InChIKey of [4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZROBKNPXIOQRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-27-10-12-28(13-11-27)24(31)19-4-2-17(3-5-19)21-16-29-22(14-26-23(29)15-25-21)18-6-8-20(30)9-7-18/h2-9,14-16,30H,10-13H2,1H3.
What are the key properties of [4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 413.48 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 136623815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).