2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone

C18H21N5O3 — CID 165048614

IUPAC2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone
SMILESCOc1nc(CC(=O)c2ccn(C)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C18H21N5O3/c1-22-6-3-14(21-22)16(24)9-13-10-23-11-15(12-4-7-26-8-5-12)20-17(23)18(19-13)25-2/h3,6,10-12H,4-5,7-9H2,1-2H3
InChIKeyPHNGLZDJRSFOFY-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.79
Rot. Bonds5

About 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone

2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone (PubChem CID 165048614) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone
PubChem CID165048614
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone
SMILESCOc1nc(CC(=O)c2ccn(C)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C18H21N5O3/c1-22-6-3-14(21-22)16(24)9-13-10-23-11-15(12-4-7-26-8-5-12)20-17(23)18(19-13)25-2/h3,6,10-12H,4-5,7-9H2,1-2H3
InChIKeyPHNGLZDJRSFOFY-UHFFFAOYSA-N
XLogP1.79
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone (CID 165048614) is 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone is COc1nc(CC(=O)c2ccn(C)n2)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is PHNGLZDJRSFOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-22-6-3-14(21-22)16(24)9-13-10-23-11-15(12-4-7-26-8-5-12)20-17(23)18(19-13)25-2/h3,6,10-12H,4-5,7-9H2,1-2H3.
What are the key properties of 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone?
2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 355.40 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 165048614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).