N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

C19H28N6O2 — CID 95896672

IUPACN-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCC2(CCN(c3nc(C)nc4c3c(C)nn4C)CC2)O1
InChIInChI=1S/C19H28N6O2/c1-12-16-17(24(4)23-12)21-13(2)22-18(16)25-9-7-19(8-10-25)6-5-15(27-19)11-20-14(3)26/h15H,5-11H2,1-4H3,(H,20,26)/t15-/m0/s1
InChIKeyGLODYYAZCKCNIS-HNNXBMFYSA-N
MW372.47 g/mol
LogP1.63
Rot. Bonds3

About N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide

N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (PubChem CID 95896672) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
PubChem CID95896672
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC NameN-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCC2(CCN(c3nc(C)nc4c3c(C)nn4C)CC2)O1
InChIInChI=1S/C19H28N6O2/c1-12-16-17(24(4)23-12)21-13(2)22-18(16)25-9-7-19(8-10-25)6-5-15(27-19)11-20-14(3)26/h15H,5-11H2,1-4H3,(H,20,26)/t15-/m0/s1
InChIKeyGLODYYAZCKCNIS-HNNXBMFYSA-N
XLogP1.63
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide (CID 95896672) is N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCC2(CCN(c3nc(C)nc4c3c(C)nn4C)CC2)O1.
What is the InChIKey of N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
The InChIKey is GLODYYAZCKCNIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-12-16-17(24(4)23-12)21-13(2)22-18(16)25-9-7-19(8-10-25)6-5-15(27-19)11-20-14(3)26/h15H,5-11H2,1-4H3,(H,20,26)/t15-/m0/s1.
What are the key properties of N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide?
N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-8-(1,3,6-trimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide is sourced from PubChem (CID 95896672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).