1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

C21H22N6O2 — CID 163357288

IUPAC1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESCc1cc2c(N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)nccn2n1
InChIInChI=1S/C21H22N6O2/c1-15-13-18-20(22-9-12-26(18)23-15)24-10-7-16(8-11-24)25-14-19(28)27(21(25)29)17-5-3-2-4-6-17/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3
InChIKeyMSLWTBORWCCZIW-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.48
Rot. Bonds3

About 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione

1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (PubChem CID 163357288) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
PubChem CID163357288
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
SMILESCc1cc2c(N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)nccn2n1
InChIInChI=1S/C21H22N6O2/c1-15-13-18-20(22-9-12-26(18)23-15)24-10-7-16(8-11-24)25-14-19(28)27(21(25)29)17-5-3-2-4-6-17/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3
InChIKeyMSLWTBORWCCZIW-UHFFFAOYSA-N
XLogP2.48
TPSA74.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione
CID 163356602
1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-one
CID 104730047
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazine
CID 126946467
4-(4-benzhydrylpiperazin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 133487929
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133490284
4-(3-chloropyrrolidin-1-yl)-2-methylpyrazolo[1,5-a]pyrazine
CID 104733876
4-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 166601620
4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)morpholine
CID 133487949
2-methyl-1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidine-3-carboxylic acid
CID 104729670
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
2-cyclopropyl-4-(4-phenylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 154830210
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133487895

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione (CID 163357288) is 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is Cc1cc2c(N3CCC(N4CC(=O)N(c5ccccc5)C4=O)CC3)nccn2n1.
What is the InChIKey of 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
The InChIKey is MSLWTBORWCCZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-15-13-18-20(22-9-12-26(18)23-15)24-10-7-16(8-11-24)25-14-19(28)27(21(25)29)17-5-3-2-4-6-17/h2-6,9,12-13,16H,7-8,10-11,14H2,1H3.
What are the key properties of 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione?
1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione has a molecular weight of 390.45 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-4-yl]-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 163357288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).