[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone

C21H23F2N5O3 — CID 121439335

IUPAC[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone
SMILESCc1cn2ccnc(O[C@@H]3CC[C@@H](C)N(C(=O)c4cccnc4OCC(F)F)C3)c2n1
InChIInChI=1S/C21H23F2N5O3/c1-13-10-27-9-8-25-20(18(27)26-13)31-15-6-5-14(2)28(11-15)21(29)16-4-3-7-24-19(16)30-12-17(22)23/h3-4,7-10,14-15,17H,5-6,11-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyJZRBAXXJGDJYKQ-HUUCEWRRSA-N
MW431.44 g/mol
LogP3.15
Rot. Bonds6

About [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone

[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone (PubChem CID 121439335) has the molecular formula C21H23F2N5O3 and a molecular weight of 431.44 g/mol. Its IUPAC name is [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone
PubChem CID121439335
Molecular FormulaC21H23F2N5O3
Molecular Weight431.44 g/mol
Exact Mass431.18
IUPAC Name[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone
SMILESCc1cn2ccnc(O[C@@H]3CC[C@@H](C)N(C(=O)c4cccnc4OCC(F)F)C3)c2n1
InChIInChI=1S/C21H23F2N5O3/c1-13-10-27-9-8-25-20(18(27)26-13)31-15-6-5-14(2)28(11-15)21(29)16-4-3-7-24-19(16)30-12-17(22)23/h3-4,7-10,14-15,17H,5-6,11-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyJZRBAXXJGDJYKQ-HUUCEWRRSA-N
XLogP3.15
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone (CID 121439335) is [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone is Cc1cn2ccnc(O[C@@H]3CC[C@@H](C)N(C(=O)c4cccnc4OCC(F)F)C3)c2n1.
What is the InChIKey of [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone?
The InChIKey is JZRBAXXJGDJYKQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H23F2N5O3/c1-13-10-27-9-8-25-20(18(27)26-13)31-15-6-5-14(2)28(11-15)21(29)16-4-3-7-24-19(16)30-12-17(22)23/h3-4,7-10,14-15,17H,5-6,11-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone?
[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone has a molecular weight of 431.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121439335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).