[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone

C18H24N4OS — CID 97397004

IUPAC[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
SMILESCn1cc(CN2CCCC23CCN(C(=O)c2ccsc2)CC3)cn1
InChIInChI=1S/C18H24N4OS/c1-20-12-15(11-19-20)13-22-7-2-4-18(22)5-8-21(9-6-18)17(23)16-3-10-24-14-16/h3,10-12,14H,2,4-9,13H2,1H3
InChIKeyRKDWHUOFBWZOFO-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.75
Rot. Bonds3

About [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone

[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone (PubChem CID 97397004) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
PubChem CID97397004
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
SMILESCn1cc(CN2CCCC23CCN(C(=O)c2ccsc2)CC3)cn1
InChIInChI=1S/C18H24N4OS/c1-20-12-15(11-19-20)13-22-7-2-4-18(22)5-8-21(9-6-18)17(23)16-3-10-24-14-16/h3,10-12,14H,2,4-9,13H2,1H3
InChIKeyRKDWHUOFBWZOFO-UHFFFAOYSA-N
XLogP2.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone with MolForge

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Related Compounds

US10227336, Example 12
CID 121314250
(1-Methylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 37650355
N-methyl-2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 53603259
N-methyl-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 53627298
(1-Tert-butylpyrazol-4-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 56814668
[1-[(1-Methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-2-ylmethanone
CID 97397003
[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 97470970
[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 97470983
3-(1-Methylpyrazol-4-yl)-8-(thiophene-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739604
3-(1-Methylpyrazol-4-yl)-8-(thiophene-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 118739608
6-Methyl-9-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118745524
(1-methylpyrazol-4-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51725650

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The IUPAC name of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone (CID 97397004) is [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone is Cn1cc(CN2CCCC23CCN(C(=O)c2ccsc2)CC3)cn1.
What is the InChIKey of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
The InChIKey is RKDWHUOFBWZOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-20-12-15(11-19-20)13-22-7-2-4-18(22)5-8-21(9-6-18)17(23)16-3-10-24-14-16/h3,10-12,14H,2,4-9,13H2,1H3.
What are the key properties of [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone?
[1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone has a molecular weight of 344.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 97397004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).