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

C18H22N4O2S — CID 134074634

IUPAC3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccsc1C(=O)N1CCC2(CC1)CC(c1cnn(C)c1)C(=O)N2
InChIInChI=1S/C18H22N4O2S/c1-12-3-8-25-15(12)17(24)22-6-4-18(5-7-22)9-14(16(23)20-18)13-10-19-21(2)11-13/h3,8,10-11,14H,4-7,9H2,1-2H3,(H,20,23)
InChIKeyIZGHNNVSNNPKEI-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.07
Rot. Bonds2

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

3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 134074634) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID134074634
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1ccsc1C(=O)N1CCC2(CC1)CC(c1cnn(C)c1)C(=O)N2
InChIInChI=1S/C18H22N4O2S/c1-12-3-8-25-15(12)17(24)22-6-4-18(5-7-22)9-14(16(23)20-18)13-10-19-21(2)11-13/h3,8,10-11,14H,4-7,9H2,1-2H3,(H,20,23)
InChIKeyIZGHNNVSNNPKEI-UHFFFAOYSA-N
XLogP2.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-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

Related Compounds

(3S)-8-(4-methyl-1,3-thiazole-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203748
(3S)-3-(1-methylpyrazol-4-yl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97391661
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72865421
(3S)-8-(2-ethylpyrimidine-5-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97190010
7-(3-methylthiophene-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996200
3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 134072386
8-(2-methylbenzoyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155842799
3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131653725
(3R)-3-pyridin-3-yl-8-(1,3-thiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97391633
(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203710

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 134074634) is 3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is Cc1ccsc1C(=O)N1CCC2(CC1)CC(c1cnn(C)c1)C(=O)N2.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is IZGHNNVSNNPKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-3-8-25-15(12)17(24)22-6-4-18(5-7-22)9-14(16(23)20-18)13-10-19-21(2)11-13/h3,8,10-11,14H,4-7,9H2,1-2H3,(H,20,23).
What are the key properties of 3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
3-(1-methylpyrazol-4-yl)-8-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 358.47 g/mol, XLogP of 2.07, 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-(3-methylthiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134074634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).