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

C18H20N8OS — CID 56666400

IUPAC3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(CN3CCOCC3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C18H20N8OS/c1-12-6-16(28-24-12)23-17-18-19-9-15(13-7-20-21-8-13)26(18)11-14(22-17)10-25-2-4-27-5-3-25/h6-9,11H,2-5,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyKRUCYZFEUFVOHN-UHFFFAOYSA-N
MW396.48 g/mol
LogP2.46
Rot. Bonds5

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

3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 56666400) has the molecular formula C18H20N8OS and a molecular weight of 396.48 g/mol. Its IUPAC name is 3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID56666400
Molecular FormulaC18H20N8OS
Molecular Weight396.48 g/mol
Exact Mass396.15
IUPAC Name3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESCc1cc(Nc2nc(CN3CCOCC3)cn3c(-c4cn[nH]c4)cnc23)sn1
InChIInChI=1S/C18H20N8OS/c1-12-6-16(28-24-12)23-17-18-19-9-15(13-7-20-21-8-13)26(18)11-14(22-17)10-25-2-4-27-5-3-25/h6-9,11H,2-5,10H2,1H3,(H,20,21)(H,22,23)
InChIKeyKRUCYZFEUFVOHN-UHFFFAOYSA-N
XLogP2.46
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The IUPAC name of 3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 56666400) is 3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The canonical SMILES for 3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is Cc1cc(Nc2nc(CN3CCOCC3)cn3c(-c4cn[nH]c4)cnc23)sn1.
What is the InChIKey of 3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is KRUCYZFEUFVOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8OS/c1-12-6-16(28-24-12)23-17-18-19-9-15(13-7-20-21-8-13)26(18)11-14(22-17)10-25-2-4-27-5-3-25/h6-9,11H,2-5,10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine has a molecular weight of 396.48 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(morpholin-4-ylmethyl)-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is sourced from PubChem (CID 56666400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).