(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone

C21H17F2N5O2 — CID 77105583

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone
SMILESO=C(c1cncc2nccn12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17F2N5O2/c22-21(23)7-9-27(20(29)16-11-24-12-18-25-8-10-28(16)18)13-17(21)30-19-6-5-14-3-1-2-4-15(14)26-19/h1-6,8,10-12,17H,7,9,13H2
InChIKeyJNODVYVPNNOPRX-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.21
Rot. Bonds3

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone (PubChem CID 77105583) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone
PubChem CID77105583
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone
SMILESO=C(c1cncc2nccn12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17F2N5O2/c22-21(23)7-9-27(20(29)16-11-24-12-18-25-8-10-28(16)18)13-17(21)30-19-6-5-14-3-1-2-4-15(14)26-19/h1-6,8,10-12,17H,7,9,13H2
InChIKeyJNODVYVPNNOPRX-UHFFFAOYSA-N
XLogP3.21
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone with MolForge

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Related Compounds

[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-b]pyridazin-2-ylmethanone
CID 90286456
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 134139865
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-pyrazolo[4,5-c]pyridin-4-yl)methanone
CID 90298332
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 90298436
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone
CID 90284734
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 134134612
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 123984379
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-8-yl)methanone
CID 90298302
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-imidazo[4,5-b]pyridin-6-yl)methanone
CID 123289843
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)methanone;2,2,2-trifluoroacetic acid
CID 144671458
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-indol-3-yl)methanone
CID 123303137
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 90298299

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone (CID 77105583) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone is O=C(c1cncc2nccn12)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone?
The InChIKey is JNODVYVPNNOPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c22-21(23)7-9-27(20(29)16-11-24-12-18-25-8-10-28(16)18)13-17(21)30-19-6-5-14-3-1-2-4-15(14)26-19/h1-6,8,10-12,17H,7,9,13H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone has a molecular weight of 409.40 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-imidazo[1,2-a]pyrazin-5-ylmethanone is sourced from PubChem (CID 77105583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).