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

C20H24N8O2S — CID 52942164

IUPAC3-(2-methoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCOCC(c1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)N1CCOCC1
InChIInChI=1S/C20H24N8O2S/c1-13-11-28-16(14-8-22-23-9-14)10-21-20(28)19(24-13)25-18-7-15(26-31-18)17(12-29-2)27-3-5-30-6-4-27/h7-11,17H,3-6,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyPLMCBNZBRRICKA-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.65
Rot. Bonds7

About 3-(2-methoxy-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-methoxy-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 52942164) has the molecular formula C20H24N8O2S and a molecular weight of 440.53 g/mol. Its IUPAC name is 3-(2-methoxy-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-methoxy-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 CID52942164
Molecular FormulaC20H24N8O2S
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC Name3-(2-methoxy-1-morpholin-4-ylethyl)-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCOCC(c1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)N1CCOCC1
InChIInChI=1S/C20H24N8O2S/c1-13-11-28-16(14-8-22-23-9-14)10-21-20(28)19(24-13)25-18-7-15(26-31-18)17(12-29-2)27-3-5-30-6-4-27/h7-11,17H,3-6,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyPLMCBNZBRRICKA-UHFFFAOYSA-N
XLogP2.65
TPSA105.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-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-methoxy-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 52942164) is 3-(2-methoxy-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-methoxy-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-methoxy-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 COCC(c1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)N1CCOCC1.
What is the InChIKey of 3-(2-methoxy-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 PLMCBNZBRRICKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O2S/c1-13-11-28-16(14-8-22-23-9-14)10-21-20(28)19(24-13)25-18-7-15(26-31-18)17(12-29-2)27-3-5-30-6-4-27/h7-11,17H,3-6,12H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 3-(2-methoxy-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-methoxy-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 440.53 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-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 52942164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).