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

C21H26N8OS — CID 52948208

IUPAC3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-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(C(C)N3CCOC(C)(C)C3)ns2)n1
InChIInChI=1S/C21H26N8OS/c1-13-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-13)26-18-7-16(27-31-18)14(2)28-5-6-30-21(3,4)12-28/h7-11,14H,5-6,12H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyGYSSDDZQJMWYJT-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.80
Rot. Bonds5

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

3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 52948208) has the molecular formula C21H26N8OS and a molecular weight of 438.56 g/mol. Its IUPAC name is 3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID52948208
Molecular FormulaC21H26N8OS
Molecular Weight438.56 g/mol
Exact Mass438.20
IUPAC Name3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-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(C(C)N3CCOC(C)(C)C3)ns2)n1
InChIInChI=1S/C21H26N8OS/c1-13-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-13)26-18-7-16(27-31-18)14(2)28-5-6-30-21(3,4)12-28/h7-11,14H,5-6,12H2,1-4H3,(H,23,24)(H,25,26)
InChIKeyGYSSDDZQJMWYJT-UHFFFAOYSA-N
XLogP3.80
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-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-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 52948208) is 3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-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-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-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-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-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(C(C)N3CCOC(C)(C)C3)ns2)n1.
What is the InChIKey of 3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is GYSSDDZQJMWYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8OS/c1-13-11-29-17(15-8-23-24-9-15)10-22-20(29)19(25-13)26-18-7-16(27-31-18)14(2)28-5-6-30-21(3,4)12-28/h7-11,14H,5-6,12H2,1-4H3,(H,23,24)(H,25,26).
What are the key properties of 3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-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 438.56 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-dimethylmorpholin-4-yl)ethyl]-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 52948208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).