7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one

C21H28N4OS — CID 72908392

IUPAC7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCCC12CCN(Cc1ccc(-c3ccn[nH]3)s1)C2
InChIInChI=1S/C21H28N4OS/c26-20-21(8-2-11-25(20)13-16-3-1-4-16)9-12-24(15-21)14-17-5-6-19(27-17)18-7-10-22-23-18/h5-7,10,16H,1-4,8-9,11-15H2,(H,22,23)
InChIKeyQIYNMMCBFQCSSU-UHFFFAOYSA-N
MW384.55 g/mol
LogP3.75
Rot. Bonds5

About 7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72908392) has the molecular formula C21H28N4OS and a molecular weight of 384.55 g/mol. Its IUPAC name is 7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72908392
Molecular FormulaC21H28N4OS
Molecular Weight384.55 g/mol
Exact Mass384.20
IUPAC Name7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CC2CCC2)CCCC12CCN(Cc1ccc(-c3ccn[nH]3)s1)C2
InChIInChI=1S/C21H28N4OS/c26-20-21(8-2-11-25(20)13-16-3-1-4-16)9-12-24(15-21)14-17-5-6-19(27-17)18-7-10-22-23-18/h5-7,10,16H,1-4,8-9,11-15H2,(H,22,23)
InChIKeyQIYNMMCBFQCSSU-UHFFFAOYSA-N
XLogP3.75
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-{[5-(1H-pyrazol-5-yl)-2-thienyl]methyl}-2,8-diazaspiro[4.5]decan-3-one
CID 50970911
7-{[5-(1H-pyrazol-5-yl)-2-thienyl]methyl}-2,7-diazaspiro[4.5]decane
CID 56748547
(1R*,5S*,6r)-N-cyclopropyl-3-{[5-(1H-pyrazol-5-yl)-2-thienyl]methyl}-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56904303
1-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26402717
1-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 42169853
WO2025045746, Example 45
CID 176235848
WO2025045746, Example 48
CID 176235886
N-(Cyclopropylmethyl)-3-fluoro-1-{[3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}piperidine-3-carboxamide
CID 132432174
3-Fluoro-3-(pyrrolidine-1-carbonyl)-1-{[3-(thiophen-2-YL)-1H-pyrazol-4-YL]methyl}piperidine
CID 132448233
N-[3-(1H-pyrazol-5-yl)phenyl]-1-(3-thienylmethyl)-4-piperidinecarboxamide
CID 26394881
3-cyclobutyl-5-{[5-(2-thienyl)-1H-pyrazol-4-yl]carbonyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 31193245
6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45176772

Frequently Asked Questions

What is the IUPAC name of 7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72908392) is 7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CC2CCC2)CCCC12CCN(Cc1ccc(-c3ccn[nH]3)s1)C2.
What is the InChIKey of 7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is QIYNMMCBFQCSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OS/c26-20-21(8-2-11-25(20)13-16-3-1-4-16)9-12-24(15-21)14-17-5-6-19(27-17)18-7-10-22-23-18/h5-7,10,16H,1-4,8-9,11-15H2,(H,22,23).
What are the key properties of 7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 384.55 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclobutylmethyl)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72908392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).