2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one

C17H23N5O2 — CID 167859577

IUPAC2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one
SMILESCC(C)(C)c1cc2c(N3CC4(CCOCC(=O)N4)C3)nccn2n1
InChIInChI=1S/C17H23N5O2/c1-16(2,3)13-8-12-15(18-5-6-22(12)20-13)21-10-17(11-21)4-7-24-9-14(23)19-17/h5-6,8H,4,7,9-11H2,1-3H3,(H,19,23)
InChIKeyRRZGEYZTVJIALR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.12
Rot. Bonds1

About 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one

2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one (PubChem CID 167859577) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one.

Molecular Properties

Compound Name2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one
PubChem CID167859577
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one
SMILESCC(C)(C)c1cc2c(N3CC4(CCOCC(=O)N4)C3)nccn2n1
InChIInChI=1S/C17H23N5O2/c1-16(2,3)13-8-12-15(18-5-6-22(12)20-13)21-10-17(11-21)4-7-24-9-14(23)19-17/h5-6,8H,4,7,9-11H2,1-3H3,(H,19,23)
InChIKeyRRZGEYZTVJIALR-UHFFFAOYSA-N
XLogP1.12
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one?
The IUPAC name of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one (CID 167859577) is 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one.
What is the SMILES notation for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one?
The canonical SMILES for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one is CC(C)(C)c1cc2c(N3CC4(CCOCC(=O)N4)C3)nccn2n1.
What is the InChIKey of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one?
The InChIKey is RRZGEYZTVJIALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-16(2,3)13-8-12-15(18-5-6-22(12)20-13)21-10-17(11-21)4-7-24-9-14(23)19-17/h5-6,8H,4,7,9-11H2,1-3H3,(H,19,23).
What are the key properties of 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one?
2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one has a molecular weight of 329.40 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-8-oxa-2,5-diazaspiro[3.6]decan-6-one is sourced from PubChem (CID 167859577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).