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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Related Compounds

2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(1-methylpyrazol-3-yl)ethanone
CID 165048614
2-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-1-(6-propan-2-yl-2-pyridinyl)ethanone
CID 165031668
6-bromo-8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazine;1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methoxy-2-(oxan-3-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
CID 164984762
N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]-6-propan-2-ylpyridine-2-carboxamide
CID 154655177
1-(1-methylpyrazol-3-yl)-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164993715
1-[1-(difluoromethyl)pyrazol-3-yl]-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164991172
2-methoxy-N-[8-methoxy-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-3-carboxamide
CID 154655303
N-(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyrazin-6-yl)-6-(difluoromethyl)pyridine-2-carboxamide
CID 154655470
CID 175739360
CID 175739360
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(methoxymethyl)-2-pyridinyl]ethanone
CID 164986455
N-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 154655076
1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]ethanone
CID 164961282

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).