(2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

C25H26N4O2S2 — CID 3868204

IUPAC(2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCSc1ncccc1C(=O)N1CCC2(CCN(C(=O)c3ccc(-c4ccccn4)s3)C2)CC1
InChIInChI=1S/C25H26N4O2S2/c1-32-22-18(5-4-13-27-22)23(30)28-14-9-25(10-15-28)11-16-29(17-25)24(31)21-8-7-20(33-21)19-6-2-3-12-26-19/h2-8,12-13H,9-11,14-17H2,1H3
InChIKeyIKNFOIAZXOBGDH-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.70
Rot. Bonds4

About (2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone

(2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 3868204) has the molecular formula C25H26N4O2S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is (2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID3868204
Molecular FormulaC25H26N4O2S2
Molecular Weight478.64 g/mol
Exact Mass478.15
IUPAC Name(2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCSc1ncccc1C(=O)N1CCC2(CCN(C(=O)c3ccc(-c4ccccn4)s3)C2)CC1
InChIInChI=1S/C25H26N4O2S2/c1-32-22-18(5-4-13-27-22)23(30)28-14-9-25(10-15-28)11-16-29(17-25)24(31)21-8-7-20(33-21)19-6-2-3-12-26-19/h2-8,12-13H,9-11,14-17H2,1H3
InChIKeyIKNFOIAZXOBGDH-UHFFFAOYSA-N
XLogP4.70
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(5-methyl-1,2-oxazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 3868214
(2-methylsulfanyl-3-pyridinyl)-[2-[5-(2-phenylethynyl)furan-2-carbonyl]-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 3867363
1-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-3-thiophen-3-ylprop-2-en-1-one
CID 4993671
but-2-ynyl 8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 3809575
8-(2-methylsulfanylpyridine-3-carbonyl)-N-(2,3,4,5,6-pentafluorophenyl)-2,8-diazaspiro[4.5]decane-2-carbothioamide
CID 3866845
N-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]cyclohexyl]benzamide
CID 3718684
1-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone
CID 3801745
N-[4-methyl-1-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-1-oxopent-4-en-2-yl]acetamide
CID 3784698
[2-(4-methyl-6H-pyrrolo[1,2-a][4,1]benzoxazepine-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 3849936
3,6-dihydro-2H-pyridin-1-yl-(5-pyridin-2-ylthiophen-2-yl)methanone
CID 6737250
3-methyl-5-[2-[8-(2-methylsulfanylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]-2-sulfanylideneimidazolidin-4-one
CID 3337588
4-phenyl-N-[(1S)-1-phenylethyl]-1-(5-pyridin-2-ylthiophene-2-carbonyl)piperidine-4-carboxamide
CID 59527697

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone (CID 3868204) is (2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is CSc1ncccc1C(=O)N1CCC2(CCN(C(=O)c3ccc(-c4ccccn4)s3)C2)CC1.
What is the InChIKey of (2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is IKNFOIAZXOBGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2S2/c1-32-22-18(5-4-13-27-22)23(30)28-14-9-25(10-15-28)11-16-29(17-25)24(31)21-8-7-20(33-21)19-6-2-3-12-26-19/h2-8,12-13H,9-11,14-17H2,1H3.
What are the key properties of (2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone?
(2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 478.64 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-3-pyridinyl)-[2-(5-pyridin-2-ylthiophene-2-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 3868204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).