[4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone

C25H31N5O3S — CID 71251880

IUPAC[4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone
SMILESCc1cc(N2CCCS2(=O)=O)ncc1C(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1
InChIInChI=1S/C25H31N5O3S/c1-17-13-23(30-7-2-12-34(30,32)33)26-16-22(17)25(31)29-10-8-28(9-11-29)24-21(19-5-6-19)14-20(15-27-24)18-3-4-18/h13-16,18-19H,2-12H2,1H3
InChIKeyJQVLWZSZIKNMCK-UHFFFAOYSA-N
MW481.62 g/mol
LogP3.04
Rot. Bonds5

About [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone

[4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone (PubChem CID 71251880) has the molecular formula C25H31N5O3S and a molecular weight of 481.62 g/mol. Its IUPAC name is [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone
PubChem CID71251880
Molecular FormulaC25H31N5O3S
Molecular Weight481.62 g/mol
Exact Mass481.21
IUPAC Name[4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone
SMILESCc1cc(N2CCCS2(=O)=O)ncc1C(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1
InChIInChI=1S/C25H31N5O3S/c1-17-13-23(30-7-2-12-34(30,32)33)26-16-22(17)25(31)29-10-8-28(9-11-29)24-21(19-5-6-19)14-20(15-27-24)18-3-4-18/h13-16,18-19H,2-12H2,1H3
InChIKeyJQVLWZSZIKNMCK-UHFFFAOYSA-N
XLogP3.04
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.62
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone with MolForge

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Related Compounds

3-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one
CID 58484810
[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]methanone
CID 71252357
3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;methane
CID 159671432
[2,4-bis(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 71252559
1-[5-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-6-methyl-2-pyridinyl]pyrrolidin-2-one
CID 71252643
[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazin-1-yl]-[4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]phenyl]methanone
CID 71252517
ethyl N-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-N-methylcarbamate
CID 71253045
[4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(piperidine-1-carbonyl)phenyl]methanone
CID 71252425
4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 67380856
(5S)-1-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-5-(hydroxymethyl)pyrrolidin-2-one
CID 71252866
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-(pyrrolidine-1-carbonyl)phenyl]-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 71252388
(5R)-5-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494582

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone?
The IUPAC name of [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone (CID 71251880) is [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone.
What is the SMILES notation for [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone?
The canonical SMILES for [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone is Cc1cc(N2CCCS2(=O)=O)ncc1C(=O)N1CCN(c2ncc(C3CC3)cc2C2CC2)CC1.
What is the InChIKey of [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone?
The InChIKey is JQVLWZSZIKNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3S/c1-17-13-23(30-7-2-12-34(30,32)33)26-16-22(17)25(31)29-10-8-28(9-11-29)24-21(19-5-6-19)14-20(15-27-24)18-3-4-18/h13-16,18-19H,2-12H2,1H3.
What are the key properties of [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone?
[4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone has a molecular weight of 481.62 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dicyclopropyl-2-pyridinyl)piperazin-1-yl]-[6-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methyl-3-pyridinyl]methanone is sourced from PubChem (CID 71251880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).