N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide

C24H25N5O3 — CID 137120120

IUPACN-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCOc1cc(-c2cnc3cnc(-c4ccc(C(=O)NCCN(C)C)cc4)cn23)ccc1O
InChIInChI=1S/C24H25N5O3/c1-28(2)11-10-25-24(31)17-6-4-16(5-7-17)19-15-29-20(13-27-23(29)14-26-19)18-8-9-21(30)22(12-18)32-3/h4-9,12-15,30H,10-11H2,1-3H3,(H,25,31)
InChIKeyXHDCMMUFHWYFOA-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide

N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (PubChem CID 137120120) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
PubChem CID137120120
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide
SMILESCOc1cc(-c2cnc3cnc(-c4ccc(C(=O)NCCN(C)C)cc4)cn23)ccc1O
InChIInChI=1S/C24H25N5O3/c1-28(2)11-10-25-24(31)17-6-4-16(5-7-17)19-15-29-20(13-27-23(29)14-26-19)18-8-9-21(30)22(12-18)32-3/h4-9,12-15,30H,10-11H2,1-3H3,(H,25,31)
InChIKeyXHDCMMUFHWYFOA-UHFFFAOYSA-N
XLogP3.07
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-(2,3-dihydrobenzo(1,4)dioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl)benzamide
CID 6419753
4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide
CID 4521392
4-[(3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzoyl)amino]benzoic Acid
CID 44189262
Bay 61-3606
CID 10200390
(3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-{1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene}-2,3-dihydro-1H-indol-2-one
CID 10215912
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
N-[3-(1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino}ethyl)phenyl]pyridine-3-carboxamide
CID 135507511
N-{3-[(1S)-1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}pyridine-3-carboxamide
CID 135875689
N-(3-(1H-imidazol-1-yl)propyl)-5-((6-(4-hydroxy-3-methoxyphenyl)-2-oxoindolin-3-ylidene)methyl)-2-methylselenophene-3-carboxamide
CID 44184394
Propan-2-yl 4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 134179845
N-(3-{Imidazo[1,2-A]pyrimidin-2-YL}phenyl)-3,4,5-trimethoxybenzamide
CID 5304380
3-{[(3Z)-6-(4-hydroxy-3-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile
CID 23646844

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide (CID 137120120) is N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is COc1cc(-c2cnc3cnc(-c4ccc(C(=O)NCCN(C)C)cc4)cn23)ccc1O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
The InChIKey is XHDCMMUFHWYFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-28(2)11-10-25-24(31)17-6-4-16(5-7-17)19-15-29-20(13-27-23(29)14-26-19)18-8-9-21(30)22(12-18)32-3/h4-9,12-15,30H,10-11H2,1-3H3,(H,25,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide?
N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide has a molecular weight of 431.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]benzamide is sourced from PubChem (CID 137120120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).