6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one

C18H23N5O3 — CID 118739709

IUPAC6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1ccoc1)C2
InChIInChI=1S/C18H23N5O3/c1-14(24)23-10-17(25)22(16-7-19-20(2)9-16)13-18(23)4-5-21(12-18)8-15-3-6-26-11-15/h3,6-7,9,11H,4-5,8,10,12-13H2,1-2H3
InChIKeyYIZBGNHFIYGNNL-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.85
Rot. Bonds3

About 6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one

6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118739709) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118739709
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1ccoc1)C2
InChIInChI=1S/C18H23N5O3/c1-14(24)23-10-17(25)22(16-7-19-20(2)9-16)13-18(23)4-5-21(12-18)8-15-3-6-26-11-15/h3,6-7,9,11H,4-5,8,10,12-13H2,1-2H3
InChIKeyYIZBGNHFIYGNNL-UHFFFAOYSA-N
XLogP0.85
TPSA74.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 118739709) is 6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2cnn(C)c2)CC12CCN(Cc1ccoc1)C2.
What is the InChIKey of 6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is YIZBGNHFIYGNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-14(24)23-10-17(25)22(16-7-19-20(2)9-16)13-18(23)4-5-21(12-18)8-15-3-6-26-11-15/h3,6-7,9,11H,4-5,8,10,12-13H2,1-2H3.
What are the key properties of 6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 357.41 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2-(furan-3-ylmethyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118739709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).