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

C21H27N5O3 — CID 165050739

IUPAC2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-3-yl]ethanone
SMILESCOc1nc(CC(=O)c2ccn(CC(C)C)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H27N5O3/c1-14(2)11-26-7-4-17(24-26)19(27)10-16-12-25-13-18(15-5-8-29-9-6-15)23-20(25)21(22-16)28-3/h4,7,12-15H,5-6,8-11H2,1-3H3
InChIKeyPPRORLGCOJOZFQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.91
Rot. Bonds7

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

2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-3-yl]ethanone (PubChem CID 165050739) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-3-yl]ethanone
PubChem CID165050739
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-3-yl]ethanone
SMILESCOc1nc(CC(=O)c2ccn(CC(C)C)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C21H27N5O3/c1-14(2)11-26-7-4-17(24-26)19(27)10-16-12-25-13-18(15-5-8-29-9-6-15)23-20(25)21(22-16)28-3/h4,7,12-15H,5-6,8-11H2,1-3H3
InChIKeyPPRORLGCOJOZFQ-UHFFFAOYSA-N
XLogP2.91
TPSA83.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.91
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-(2-methylpropyl)pyrazol-3-yl]ethanone?
The IUPAC name of 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-3-yl]ethanone (CID 165050739) is 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-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-(2-methylpropyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-3-yl]ethanone is COc1nc(CC(=O)c2ccn(CC(C)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-(2-methylpropyl)pyrazol-3-yl]ethanone?
The InChIKey is PPRORLGCOJOZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-14(2)11-26-7-4-17(24-26)19(27)10-16-12-25-13-18(15-5-8-29-9-6-15)23-20(25)21(22-16)28-3/h4,7,12-15H,5-6,8-11H2,1-3H3.
What are the key properties of 2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-3-yl]ethanone?
2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-[1-(2-methylpropyl)pyrazol-3-yl]ethanone has a molecular weight of 397.48 g/mol, XLogP of 2.91, 7 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-(2-methylpropyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 165050739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).