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

C19H23N9S — CID 25144582

IUPAC3-[(4-methylpiperazin-1-yl)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(CN3CCN(C)CC3)ns2)n1
InChIInChI=1S/C19H23N9S/c1-13-11-28-16(14-8-21-22-9-14)10-20-19(28)18(23-13)24-17-7-15(25-29-17)12-27-5-3-26(2)4-6-27/h7-11H,3-6,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyYPXKUGBQIUIMTA-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.38
Rot. Bonds5

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

3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 25144582) has the molecular formula C19H23N9S and a molecular weight of 409.52 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)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-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID25144582
Molecular FormulaC19H23N9S
Molecular Weight409.52 g/mol
Exact Mass409.18
IUPAC Name3-[(4-methylpiperazin-1-yl)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(CN3CCN(C)CC3)ns2)n1
InChIInChI=1S/C19H23N9S/c1-13-11-28-16(14-8-21-22-9-14)10-20-19(28)18(23-13)24-17-7-15(25-29-17)12-27-5-3-26(2)4-6-27/h7-11H,3-6,12H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyYPXKUGBQIUIMTA-UHFFFAOYSA-N
XLogP2.38
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)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-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 25144582) is 3-[(4-methylpiperazin-1-yl)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-[(4-methylpiperazin-1-yl)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-[(4-methylpiperazin-1-yl)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(CN3CCN(C)CC3)ns2)n1.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is YPXKUGBQIUIMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9S/c1-13-11-28-16(14-8-21-22-9-14)10-20-19(28)18(23-13)24-17-7-15(25-29-17)12-27-5-3-26(2)4-6-27/h7-11H,3-6,12H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[(4-methylpiperazin-1-yl)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 409.52 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)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 25144582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).