3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C17H20N4O2S — CID 118739608

IUPAC3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1cc(C2CC3(CCN(C(=O)c4cccs4)CC3)NC2=O)cn1
InChIInChI=1S/C17H20N4O2S/c1-20-11-12(10-18-20)13-9-17(19-15(13)22)4-6-21(7-5-17)16(23)14-3-2-8-24-14/h2-3,8,10-11,13H,4-7,9H2,1H3,(H,19,22)
InChIKeyQQSQJFUFBKMSHP-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.76
Rot. Bonds2

About 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 118739608) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID118739608
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCn1cc(C2CC3(CCN(C(=O)c4cccs4)CC3)NC2=O)cn1
InChIInChI=1S/C17H20N4O2S/c1-20-11-12(10-18-20)13-9-17(19-15(13)22)4-6-21(7-5-17)16(23)14-3-2-8-24-14/h2-3,8,10-11,13H,4-7,9H2,1H3,(H,19,22)
InChIKeyQQSQJFUFBKMSHP-UHFFFAOYSA-N
XLogP1.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 118739608) is 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is Cn1cc(C2CC3(CCN(C(=O)c4cccs4)CC3)NC2=O)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QQSQJFUFBKMSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-20-11-12(10-18-20)13-9-17(19-15(13)22)4-6-21(7-5-17)16(23)14-3-2-8-24-14/h2-3,8,10-11,13H,4-7,9H2,1H3,(H,19,22).
What are the key properties of 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 344.44 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118739608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).