1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone

C20H20F2N4O2 — CID 164970467

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
SMILESCc1nc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C20H20F2N4O2/c1-12-20-25-17(13-5-7-28-8-6-13)11-26(20)10-14(23-12)9-18(27)15-3-2-4-16(24-15)19(21)22/h2-4,10-11,13,19H,5-9H2,1H3
InChIKeyDBBPVDWULVNJFI-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.69
Rot. Bonds5

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone (PubChem CID 164970467) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
PubChem CID164970467
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
SMILESCc1nc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12
InChIInChI=1S/C20H20F2N4O2/c1-12-20-25-17(13-5-7-28-8-6-13)11-26(20)10-14(23-12)9-18(27)15-3-2-4-16(24-15)19(21)22/h2-4,10-11,13,19H,5-9H2,1H3
InChIKeyDBBPVDWULVNJFI-UHFFFAOYSA-N
XLogP3.69
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-Fluoro-2-(trifluoromethyl)phenyl)(1-(morpholinomethyl)imidazo[1,5-a]pyridin-3-yl)methanone
CID 54585060
Aminoimidazo[1,2-a]pyridine deriv. 41
CID 5330638
N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127039167
N-[1-[(4-fluorooxan-4-yl)methyl]piperidin-4-yl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127039508
N-[[4-fluoro-1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 127041780
Irak4-IN-4
CID 145712357
6-(difluoromethyl)-N-[7-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655717
6-(difluoromethyl)-N-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655885
US9550771, Example 7
CID 117964988
US9981944, Example 40
CID 122478626
1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-imidazo[1,2-a]pyridin-3-ylethane-1,2-dione
CID 155547379
3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one
CID 172991719

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone (CID 164970467) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone is Cc1nc(CC(=O)c2cccc(C(F)F)n2)cn2cc(C3CCOCC3)nc12.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The InChIKey is DBBPVDWULVNJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-12-20-25-17(13-5-7-28-8-6-13)11-26(20)10-14(23-12)9-18(27)15-3-2-4-16(24-15)19(21)22/h2-4,10-11,13,19H,5-9H2,1H3.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone has a molecular weight of 386.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone is sourced from PubChem (CID 164970467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).