[6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol

C20H23Cl2N3O2 — CID 138553105

IUPAC[6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
SMILESC[C@H]1CC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)nc3CO)CC2)CO1
InChIInChI=1S/C20H23Cl2N3O2/c1-13-9-20(12-27-13)5-7-25(8-6-20)19-17(11-26)24-16(10-23-19)14-3-2-4-15(21)18(14)22/h2-4,10,13,26H,5-9,11-12H2,1H3/t13-/m0/s1
InChIKeyVIZRAISITSLOHS-ZDUSSCGKSA-N
MW408.33 g/mol
LogP4.34
Rot. Bonds3

About [6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol

[6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol (PubChem CID 138553105) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is [6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
PubChem CID138553105
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name[6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
SMILESC[C@H]1CC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)nc3CO)CC2)CO1
InChIInChI=1S/C20H23Cl2N3O2/c1-13-9-20(12-27-13)5-7-25(8-6-20)19-17(11-26)24-16(10-23-19)14-3-2-4-15(21)18(14)22/h2-4,10,13,26H,5-9,11-12H2,1H3/t13-/m0/s1
InChIKeyVIZRAISITSLOHS-ZDUSSCGKSA-N
XLogP4.34
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The IUPAC name of [6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol (CID 138553105) is [6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The canonical SMILES for [6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol is C[C@H]1CC2(CCN(c3ncc(-c4cccc(Cl)c4Cl)nc3CO)CC2)CO1.
What is the InChIKey of [6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
The InChIKey is VIZRAISITSLOHS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-13-9-20(12-27-13)5-7-25(8-6-20)19-17(11-26)24-16(10-23-19)14-3-2-4-15(21)18(14)22/h2-4,10,13,26H,5-9,11-12H2,1H3/t13-/m0/s1.
What are the key properties of [6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol?
[6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol has a molecular weight of 408.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dichlorophenyl)-3-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol is sourced from PubChem (CID 138553105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).