5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C20H27N5O3 — CID 121437623

IUPAC5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC(CC1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2cccnc2)[C@@H](C)C1
InChIInChI=1S/C20H27N5O3/c1-13(10-20(15-5-6-15)18(27)22-19(28)23-20)17(26)24-8-9-25(14(2)12-24)16-4-3-7-21-11-16/h3-4,7,11,13-15H,5-6,8-10,12H2,1-2H3,(H2,22,23,27,28)/t13?,14-,20?/m0/s1
InChIKeyHXOQVGUCFLMPEY-DMAKZNTKSA-N
MW385.47 g/mol
LogP1.13
Rot. Bonds5

About 5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121437623) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121437623
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC(CC1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2cccnc2)[C@@H](C)C1
InChIInChI=1S/C20H27N5O3/c1-13(10-20(15-5-6-15)18(27)22-19(28)23-20)17(26)24-8-9-25(14(2)12-24)16-4-3-7-21-11-16/h3-4,7,11,13-15H,5-6,8-10,12H2,1-2H3,(H2,22,23,27,28)/t13?,14-,20?/m0/s1
InChIKeyHXOQVGUCFLMPEY-DMAKZNTKSA-N
XLogP1.13
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-methyl-N-[(1S)-1-[4-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]phenyl]ethyl]pyrrolidine-2-carboxamide
CID 145964467
3,5-Dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457469
3,5-Dimethyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457473
(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-2-ylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 46865648
(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-3-ylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 46885452
(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-4-ylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 46885453
2-Cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 162625310
N~2~-[(4-methylcyclohexyl)carbonyl]-N-pyridin-3-ylleucinamide
CID 3236151
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-pyridin-3-ylpropanamide
CID 3240908
N-(2-chloro-3-pyridinyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3925192
(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 10550428
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 16293491

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121437623) is 5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is CC(CC1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2cccnc2)[C@@H](C)C1.
What is the InChIKey of 5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is HXOQVGUCFLMPEY-DMAKZNTKSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-13(10-20(15-5-6-15)18(27)22-19(28)23-20)17(26)24-8-9-25(14(2)12-24)16-4-3-7-21-11-16/h3-4,7,11,13-15H,5-6,8-10,12H2,1-2H3,(H2,22,23,27,28)/t13?,14-,20?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 385.47 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[2-methyl-3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).