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

C20H25N9OS — CID 52944489

IUPAC2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCN(CCO)CC3)ns2)n1
InChIInChI=1S/C20H25N9OS/c1-14-12-29-17(15-9-22-23-10-15)11-21-20(29)19(24-14)25-18-8-16(26-31-18)13-28-4-2-27(3-5-28)6-7-30/h8-12,30H,2-7,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyDBTKHWQDISTURA-UHFFFAOYSA-N
MW439.55 g/mol
LogP1.74
Rot. Bonds7

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

2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 52944489) has the molecular formula C20H25N9OS and a molecular weight of 439.55 g/mol. Its IUPAC name is 2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol
PubChem CID52944489
Molecular FormulaC20H25N9OS
Molecular Weight439.55 g/mol
Exact Mass439.19
IUPAC Name2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCN(CCO)CC3)ns2)n1
InChIInChI=1S/C20H25N9OS/c1-14-12-29-17(15-9-22-23-10-15)11-21-20(29)19(24-14)25-18-8-16(26-31-18)13-28-4-2-27(3-5-28)6-7-30/h8-12,30H,2-7,13H2,1H3,(H,22,23)(H,24,25)
InChIKeyDBTKHWQDISTURA-UHFFFAOYSA-N
XLogP1.74
TPSA110.50 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.55
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol (CID 52944489) is 2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCN(CCO)CC3)ns2)n1.
What is the InChIKey of 2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is DBTKHWQDISTURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9OS/c1-14-12-29-17(15-9-22-23-10-15)11-21-20(29)19(24-14)25-18-8-16(26-31-18)13-28-4-2-27(3-5-28)6-7-30/h8-12,30H,2-7,13H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 439.55 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-1,2-thiazol-3-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 52944489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).