3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

C22H22N8S — CID 25144431

IUPAC3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(C)Cc3ccccc3)ns2)n1
InChIInChI=1S/C22H22N8S/c1-15-12-30-19(17-9-24-25-10-17)11-23-22(30)21(26-15)27-20-8-18(28-31-20)14-29(2)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHAOPLJLSEUCXSO-UHFFFAOYSA-N
MW430.54 g/mol
LogP4.26
Rot. Bonds7

About 3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine

3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25144431) has the molecular formula C22H22N8S and a molecular weight of 430.54 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25144431
Molecular FormulaC22H22N8S
Molecular Weight430.54 g/mol
Exact Mass430.17
IUPAC Name3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(C)Cc3ccccc3)ns2)n1
InChIInChI=1S/C22H22N8S/c1-15-12-30-19(17-9-24-25-10-17)11-23-22(30)21(26-15)27-20-8-18(28-31-20)14-29(2)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHAOPLJLSEUCXSO-UHFFFAOYSA-N
XLogP4.26
TPSA87.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.54
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25144431) is 3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(C)Cc3ccccc3)ns2)n1.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is HAOPLJLSEUCXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8S/c1-15-12-30-19(17-9-24-25-10-17)11-23-22(30)21(26-15)27-20-8-18(28-31-20)14-29(2)13-16-6-4-3-5-7-16/h3-12H,13-14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 430.54 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 25144431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).