3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C21H21N5O4 — CID 126473380

IUPAC3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cncc(-c2cnc3c(Nc4cc(OC)c(OC)c(OC)c4)nccn23)c1
InChIInChI=1S/C21H21N5O4/c1-27-15-7-13(10-22-11-15)16-12-24-21-20(23-5-6-26(16)21)25-14-8-17(28-2)19(30-4)18(9-14)29-3/h5-12H,1-4H3,(H,23,25)
InChIKeyOWBWTHCQLDPRPX-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.57
Rot. Bonds7

About 3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 126473380) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is 3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID126473380
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC Name3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cncc(-c2cnc3c(Nc4cc(OC)c(OC)c(OC)c4)nccn23)c1
InChIInChI=1S/C21H21N5O4/c1-27-15-7-13(10-22-11-15)16-12-24-21-20(23-5-6-26(16)21)25-14-8-17(28-2)19(30-4)18(9-14)29-3/h5-12H,1-4H3,(H,23,25)
InChIKeyOWBWTHCQLDPRPX-UHFFFAOYSA-N
XLogP3.57
TPSA92.03 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2,4-Diamino-5-Methyl-6-[(3,4,5-Trimethoxy-N-Methylanilino)Methyl]Pyrido[2,3-D]Pyrimidine
CID 447815
7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CID 11957393
4-[(5,6-Dimethyl-2,2'-Bipyridin-3-Yl)oxy]-N-(3,4,5-Trimethoxyphenyl)pyridin-2-Amine
CID 44201376
4-[(6-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521017
4-[(2-methyl-3-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 44521018
2,4-Disubstituted Pyrimidine 2h
CID 5329421
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
Casein Kinase II Inhibitor IV
CID 11453158
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
4-(2-Anilinopyridin-3-Yl)-N-(3,4,5-Trimethoxyphenyl)-1,3,5-Triazin-2-Amine
CID 16040288
N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine
CID 23536770
4-(6-Methyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3,4,5-trimethoxy-phenyl)pyridin-2-amine
CID 44521014

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 126473380) is 3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is COc1cncc(-c2cnc3c(Nc4cc(OC)c(OC)c(OC)c4)nccn23)c1.
What is the InChIKey of 3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OWBWTHCQLDPRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-27-15-7-13(10-22-11-15)16-12-24-21-20(23-5-6-26(16)21)25-14-8-17(28-2)19(30-4)18(9-14)29-3/h5-12H,1-4H3,(H,23,25).
What are the key properties of 3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 407.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 126473380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).