1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone

C21H20F2N4O2 — CID 164992397

IUPAC1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
SMILESO=C(Cc1cn2cc(C3CC4(CCOC4)C3)nc2cn1)c1cccc(C(F)F)n1
InChIInChI=1S/C21H20F2N4O2/c22-20(23)16-3-1-2-15(25-16)18(28)6-14-10-27-11-17(26-19(27)9-24-14)13-7-21(8-13)4-5-29-12-21/h1-3,9-11,13,20H,4-8,12H2
InChIKeyHAVHDAFUDFHZAC-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.77
Rot. Bonds5

About 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone

1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone (PubChem CID 164992397) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
PubChem CID164992397
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone
SMILESO=C(Cc1cn2cc(C3CC4(CCOC4)C3)nc2cn1)c1cccc(C(F)F)n1
InChIInChI=1S/C21H20F2N4O2/c22-20(23)16-3-1-2-15(25-16)18(28)6-14-10-27-11-17(26-19(27)9-24-14)13-7-21(8-13)4-5-29-12-21/h1-3,9-11,13,20H,4-8,12H2
InChIKeyHAVHDAFUDFHZAC-UHFFFAOYSA-N
XLogP3.77
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-tert-butyl-3-(oxan-4-ylmethyl)-N,N-bis(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 24809577
5,5,5-Trifluoro-1-[3-[7-(4-hydroxy-3-methylbutanoyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 58080742
1-[3-[7-(Cyclobutanecarbonyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 58080747
1-[6-[2-(1-Ethoxyethyl)cyclopropyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-one
CID 91200924
N-[(2S,4R)-2-(5-imidazo[1,2-a]pyridin-3-yl-4H-pyrazol-3-yl)oxan-4-yl]-N-methyl-3-(trifluoromethyl)benzamide
CID 147264906
6-(difluoromethyl)-N-[8-methoxy-2-(6-oxaspiro[2.5]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
CID 154655134
6-(difluoromethyl)-N-[8-ethyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655174
6-(difluoromethyl)-N-[2-(3-methoxypropyl)imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide
CID 154655204
N-[7-(difluoromethyl)-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-methylpyridine-2-carboxamide
CID 154655220
6-(difluoromethyl)-N-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]pyridine-2-carboxamide
CID 154655267

Frequently Asked Questions

What is the IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone (CID 164992397) is 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone is O=C(Cc1cn2cc(C3CC4(CCOC4)C3)nc2cn1)c1cccc(C(F)F)n1.
What is the InChIKey of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
The InChIKey is HAVHDAFUDFHZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c22-20(23)16-3-1-2-15(25-16)18(28)6-14-10-27-11-17(26-19(27)9-24-14)13-7-21(8-13)4-5-29-12-21/h1-3,9-11,13,20H,4-8,12H2.
What are the key properties of 1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone?
1-[6-(difluoromethyl)-2-pyridinyl]-2-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone has a molecular weight of 398.41 g/mol, XLogP of 3.77, 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-[2-(6-oxaspiro[3.4]octan-2-yl)imidazo[1,2-a]pyrazin-6-yl]ethanone is sourced from PubChem (CID 164992397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).