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

C21H26N8O2S — CID 52948244

IUPAC3-(2-ethoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCCOCC(c1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)N1CCOCC1
InChIInChI=1S/C21H26N8O2S/c1-3-30-13-18(28-4-6-31-7-5-28)16-8-19(32-27-16)26-20-21-22-11-17(15-9-23-24-10-15)29(21)12-14(2)25-20/h8-12,18H,3-7,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVOYPRSLUKMTMBM-UHFFFAOYSA-N
MW454.56 g/mol
LogP3.04
Rot. Bonds8

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

3-(2-ethoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 52948244) has the molecular formula C21H26N8O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is 3-(2-ethoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(2-ethoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID52948244
Molecular FormulaC21H26N8O2S
Molecular Weight454.56 g/mol
Exact Mass454.19
IUPAC Name3-(2-ethoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCCOCC(c1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)N1CCOCC1
InChIInChI=1S/C21H26N8O2S/c1-3-30-13-18(28-4-6-31-7-5-28)16-8-19(32-27-16)26-20-21-22-11-17(15-9-23-24-10-15)29(21)12-14(2)25-20/h8-12,18H,3-7,13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVOYPRSLUKMTMBM-UHFFFAOYSA-N
XLogP3.04
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-1-morpholin-4-ylethyl)-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-(2-ethoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 52948244) is 3-(2-ethoxy-1-morpholin-4-ylethyl)-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-(2-ethoxy-1-morpholin-4-ylethyl)-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-(2-ethoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is CCOCC(c1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)N1CCOCC1.
What is the InChIKey of 3-(2-ethoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is VOYPRSLUKMTMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8O2S/c1-3-30-13-18(28-4-6-31-7-5-28)16-8-19(32-27-16)26-20-21-22-11-17(15-9-23-24-10-15)29(21)12-14(2)25-20/h8-12,18H,3-7,13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 3-(2-ethoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-(2-ethoxy-1-morpholin-4-ylethyl)-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 454.56 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-1-morpholin-4-ylethyl)-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 52948244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).