8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H23N5O3 — CID 86859766

IUPAC8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3[nH]ncc3C1)C2=O
InChIInChI=1S/C17H23N5O3/c1-11-2-5-17(6-3-11)15(24)22(16(25)19-17)10-14(23)21-7-4-13-12(9-21)8-18-20-13/h8,11H,2-7,9-10H2,1H3,(H,18,20)(H,19,25)
InChIKeyBUMOQPRITXAVBI-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.80
Rot. Bonds2

About 8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 86859766) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID86859766
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3[nH]ncc3C1)C2=O
InChIInChI=1S/C17H23N5O3/c1-11-2-5-17(6-3-11)15(24)22(16(25)19-17)10-14(23)21-7-4-13-12(9-21)8-18-20-13/h8,11H,2-7,9-10H2,1H3,(H,18,20)(H,19,25)
InChIKeyBUMOQPRITXAVBI-UHFFFAOYSA-N
XLogP0.80
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 86859766) is 8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3[nH]ncc3C1)C2=O.
What is the InChIKey of 8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is BUMOQPRITXAVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-2-5-17(6-3-11)15(24)22(16(25)19-17)10-14(23)21-7-4-13-12(9-21)8-18-20-13/h8,11H,2-7,9-10H2,1H3,(H,18,20)(H,19,25).
What are the key properties of 8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 86859766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).