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

C23H28N8OS — CID 58282837

IUPAC3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESC=C(OCC)C1CCCN(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)C1
InChIInChI=1S/C23H28N8OS/c1-4-32-16(3)17-6-5-7-30(13-17)14-19-8-21(33-29-19)28-22-23-24-11-20(18-9-25-26-10-18)31(23)12-15(2)27-22/h8-12,17H,3-7,13-14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyZZORUPSFMUDUCO-UHFFFAOYSA-N
MW464.60 g/mol
LogP4.39
Rot. Bonds8

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

3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (PubChem CID 58282837) has the molecular formula C23H28N8OS and a molecular weight of 464.60 g/mol. Its IUPAC name is 3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
PubChem CID58282837
Molecular FormulaC23H28N8OS
Molecular Weight464.60 g/mol
Exact Mass464.21
IUPAC Name3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine
SMILESC=C(OCC)C1CCCN(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)C1
InChIInChI=1S/C23H28N8OS/c1-4-32-16(3)17-6-5-7-30(13-17)14-19-8-21(33-29-19)28-22-23-24-11-20(18-9-25-26-10-18)31(23)12-15(2)27-22/h8-12,17H,3-7,13-14H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyZZORUPSFMUDUCO-UHFFFAOYSA-N
XLogP4.39
TPSA96.26 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-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-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine (CID 58282837) is 3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-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-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-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-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine is C=C(OCC)C1CCCN(Cc2cc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)sn2)C1.
What is the InChIKey of 3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
The InChIKey is ZZORUPSFMUDUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8OS/c1-4-32-16(3)17-6-5-7-30(13-17)14-19-8-21(33-29-19)28-22-23-24-11-20(18-9-25-26-10-18)31(23)12-15(2)27-22/h8-12,17H,3-7,13-14H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of 3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-N-[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,2-thiazol-5-amine?
3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-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 464.60 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-ethoxyethenyl)piperidin-1-yl]methyl]-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 58282837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).