(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

C17H19N5O3 — CID 131649493

IUPAC(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCc1cnc(C(=O)N2CC3(CC(Oc4cnccn4)CCO3)C2)cn1
InChIInChI=1S/C17H19N5O3/c1-12-7-21-14(8-20-12)16(23)22-10-17(11-22)6-13(2-5-24-17)25-15-9-18-3-4-19-15/h3-4,7-9,13H,2,5-6,10-11H2,1H3
InChIKeyBTHNHYGZWBKXSS-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.03
Rot. Bonds3

About (5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone

(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (PubChem CID 131649493) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
PubChem CID131649493
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
SMILESCc1cnc(C(=O)N2CC3(CC(Oc4cnccn4)CCO3)C2)cn1
InChIInChI=1S/C17H19N5O3/c1-12-7-21-14(8-20-12)16(23)22-10-17(11-22)6-13(2-5-24-17)25-15-9-18-3-4-19-15/h3-4,7-9,13H,2,5-6,10-11H2,1H3
InChIKeyBTHNHYGZWBKXSS-UHFFFAOYSA-N
XLogP1.03
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-oxazol-4-yl-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 133139925
(1-ethylpiperidin-4-yl)-[(8R)-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124830917
(8R)-8-pyrazin-2-yloxy-2-pyrimidin-2-yl-5-oxa-2-azaspiro[3.5]nonane
CID 124911109
1,3-oxazol-4-yl-(8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone
CID 131648731
(5-cyclopropyl-1,2-oxazol-3-yl)-[(8R)-8-(6-methylpyrazin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124913096
(8R)-2-[(5-methylfuran-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124817051
(8S)-2-(4-methylphenyl)sulfonyl-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124811015
[(8R)-8-pyridin-3-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-2-ylmethanone
CID 124791257
(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124803732
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 155847642
[8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]-pyrimidin-4-ylmethanone
CID 131655494
(1-methylpyrazol-3-yl)-[(8S)-8-(4-methylpyrimidin-2-yl)oxy-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 124814156

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone (CID 131649493) is (5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is Cc1cnc(C(=O)N2CC3(CC(Oc4cnccn4)CCO3)C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
The InChIKey is BTHNHYGZWBKXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-12-7-21-14(8-20-12)16(23)22-10-17(11-22)6-13(2-5-24-17)25-15-9-18-3-4-19-15/h3-4,7-9,13H,2,5-6,10-11H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone?
(5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone has a molecular weight of 341.37 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-(8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonan-2-yl)methanone is sourced from PubChem (CID 131649493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).