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

C25H25N5O2 — CID 121439819

IUPAC[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone
SMILESCc1cn2ccnc(O[C@@H]3CC[C@@H](C)N(C(=O)c4cccnc4-c4ccccc4)C3)c2n1
InChIInChI=1S/C25H25N5O2/c1-17-15-29-14-13-27-24(23(29)28-17)32-20-11-10-18(2)30(16-20)25(31)21-9-6-12-26-22(21)19-7-4-3-5-8-19/h3-9,12-15,18,20H,10-11,16H2,1-2H3/t18-,20-/m1/s1
InChIKeyWOUFWOXTAOEIOV-UYAOXDASSA-N
MW427.51 g/mol
LogP4.17
Rot. Bonds4

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

[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone (PubChem CID 121439819) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone
PubChem CID121439819
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone
SMILESCc1cn2ccnc(O[C@@H]3CC[C@@H](C)N(C(=O)c4cccnc4-c4ccccc4)C3)c2n1
InChIInChI=1S/C25H25N5O2/c1-17-15-29-14-13-27-24(23(29)28-17)32-20-11-10-18(2)30(16-20)25(31)21-9-6-12-26-22(21)19-7-4-3-5-8-19/h3-9,12-15,18,20H,10-11,16H2,1-2H3/t18-,20-/m1/s1
InChIKeyWOUFWOXTAOEIOV-UYAOXDASSA-N
XLogP4.17
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone (CID 121439819) is [(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone is Cc1cn2ccnc(O[C@@H]3CC[C@@H](C)N(C(=O)c4cccnc4-c4ccccc4)C3)c2n1.
What is the InChIKey of [(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone?
The InChIKey is WOUFWOXTAOEIOV-UYAOXDASSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-15-29-14-13-27-24(23(29)28-17)32-20-11-10-18(2)30(16-20)25(31)21-9-6-12-26-22(21)19-7-4-3-5-8-19/h3-9,12-15,18,20H,10-11,16H2,1-2H3/t18-,20-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone?
[(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone has a molecular weight of 427.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-(2-methylimidazo[1,2-a]pyrazin-8-yl)oxypiperidin-1-yl]-(2-phenyl-3-pyridinyl)methanone is sourced from PubChem (CID 121439819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).