N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide

C24H25N5O4 — CID 126472344

IUPACN-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
SMILESCOc1cc(CNc2nccn3c(-c4cccc(NC(C)=O)c4)cnc23)cc(OC)c1OC
InChIInChI=1S/C24H25N5O4/c1-15(30)28-18-7-5-6-17(12-18)19-14-27-24-23(25-8-9-29(19)24)26-13-16-10-20(31-2)22(33-4)21(11-16)32-3/h5-12,14H,13H2,1-4H3,(H,25,26)(H,28,30)
InChIKeyBAMGRUGEYHGVOM-UHFFFAOYSA-N
MW447.50 g/mol
LogP3.99
Rot. Bonds8

About N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide

N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide (PubChem CID 126472344) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
PubChem CID126472344
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC NameN-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide
SMILESCOc1cc(CNc2nccn3c(-c4cccc(NC(C)=O)c4)cnc23)cc(OC)c1OC
InChIInChI=1S/C24H25N5O4/c1-15(30)28-18-7-5-6-17(12-18)19-14-27-24-23(25-8-9-29(19)24)26-13-16-10-20(31-2)22(33-4)21(11-16)32-3/h5-12,14H,13H2,1-4H3,(H,25,26)(H,28,30)
InChIKeyBAMGRUGEYHGVOM-UHFFFAOYSA-N
XLogP3.99
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-(4-fluorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472520
1-[3-[8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 126473351
3-[[[3-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135931682
5-[2-(dimethylamino)phenyl]-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126474524
N-[4-[[3-(3-chloro-4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide
CID 162384050
2-methoxy-5-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 143766243
3-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205361
N-[4-[[[3-(4-methoxy-3-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]methyl]phenyl]methanesulfonamide
CID 89431321
N-[(3-chlorophenyl)methyl]-3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 25205191
N-[4-[[3-(2-methoxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]acetamide
CID 126472336
5-[3-(aminomethyl)phenyl]-N-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472247
N-(pyridin-4-ylmethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 126472930

Frequently Asked Questions

What is the IUPAC name of N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide (CID 126472344) is N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide is COc1cc(CNc2nccn3c(-c4cccc(NC(C)=O)c4)cnc23)cc(OC)c1OC.
What is the InChIKey of N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
The InChIKey is BAMGRUGEYHGVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-15(30)28-18-7-5-6-17(12-18)19-14-27-24-23(25-8-9-29(19)24)26-13-16-10-20(31-2)22(33-4)21(11-16)32-3/h5-12,14H,13H2,1-4H3,(H,25,26)(H,28,30).
What are the key properties of N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide?
N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide has a molecular weight of 447.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[8-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 126472344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).