(1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C17H22N6O2 — CID 118740735

IUPAC(1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCn1ccc(C(=O)N2CCC3(CC2)CC(Nc2cnccn2)CO3)n1
InChIInChI=1S/C17H22N6O2/c1-22-7-2-14(21-22)16(24)23-8-3-17(4-9-23)10-13(12-25-17)20-15-11-18-5-6-19-15/h2,5-7,11,13H,3-4,8-10,12H2,1H3,(H,19,20)
InChIKeyWSIOCONJJPPSTN-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.09
Rot. Bonds3

About (1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 118740735) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID118740735
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name(1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCn1ccc(C(=O)N2CCC3(CC2)CC(Nc2cnccn2)CO3)n1
InChIInChI=1S/C17H22N6O2/c1-22-7-2-14(21-22)16(24)23-8-3-17(4-9-23)10-13(12-25-17)20-15-11-18-5-6-19-15/h2,5-7,11,13H,3-4,8-10,12H2,1H3,(H,19,20)
InChIKeyWSIOCONJJPPSTN-UHFFFAOYSA-N
XLogP1.09
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 118740735) is (1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cn1ccc(C(=O)N2CCC3(CC2)CC(Nc2cnccn2)CO3)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is WSIOCONJJPPSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22-7-2-14(21-22)16(24)23-8-3-17(4-9-23)10-13(12-25-17)20-15-11-18-5-6-19-15/h2,5-7,11,13H,3-4,8-10,12H2,1H3,(H,19,20).
What are the key properties of (1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 342.40 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[3-(pyrazin-2-ylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 118740735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).