N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide

C24H25N5O2 — CID 126672927

IUPACN-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cc1
InChIInChI=1S/C24H25N5O2/c1-28(2)12-4-11-25-24(31)18-9-7-17(8-10-18)21-16-29-22(14-27-23(29)15-26-21)19-5-3-6-20(30)13-19/h3,5-10,13-16,30H,4,11-12H2,1-2H3,(H,25,31)
InChIKeyPVGXBTHTIQBEHU-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.45
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide

N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 126672927) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID126672927
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC NameN-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cc1
InChIInChI=1S/C24H25N5O2/c1-28(2)12-4-11-25-24(31)18-9-7-17(8-10-18)21-16-29-22(14-27-23(29)15-26-21)19-5-3-6-20(30)13-19/h3,5-10,13-16,30H,4,11-12H2,1-2H3,(H,25,31)
InChIKeyPVGXBTHTIQBEHU-UHFFFAOYSA-N
XLogP3.45
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 137120120
4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one
CID 140905321
N-[3-(dimethylamino)propyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide
CID 15410383
4-[6-[(3-chlorophenyl)methylamino]imidazo[1,2-a]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 59148927
N-(4-cyanophenyl)-3-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]-N-methylimidazo[1,2-a]pyrazine-6-carboxamide
CID 90157255
3-(6-thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)phenol
CID 126672810
N-[3-(dimethylamino)propyl]-4-(4-methylphenyl)benzamide
CID 162362191
3-[3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]imidazo[1,2-b]pyridazin-6-yl]-N-methylbenzamide
CID 71729713
N-[2-(dimethylamino)ethyl]-4-(2,6-diphenyl-4-pyridinyl)benzamide;dihydrochloride
CID 67598283
N-[3-(dimethylamino)propyl]-4-(8-hydroxy-3-oxo-4H-quinoxalin-6-yl)benzamide
CID 171446218
N-[3-(dimethylamino)propyl]-2-[(4-phenylbenzoyl)amino]benzamide;hydrochloride
CID 52995391
4-(1-benzoyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl)-N-[3-(dimethylamino)propyl]benzamide
CID 24853014

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 126672927) is N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is CN(C)CCCNC(=O)c1ccc(-c2cn3c(-c4cccc(O)c4)cnc3cn2)cc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is PVGXBTHTIQBEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-28(2)12-4-11-25-24(31)18-9-7-17(8-10-18)21-16-29-22(14-27-23(29)15-26-21)19-5-3-6-20(30)13-19/h3,5-10,13-16,30H,4,11-12H2,1-2H3,(H,25,31).
What are the key properties of N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 415.50 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-4-[3-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 126672927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).