5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione

C18H22F2N6O2 — CID 171368462

IUPAC5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESCCc1cnn2c(N3CC(C)(C)C(F)(F)C3)cc(C3CNC(=O)NC3=O)nc12
InChIInChI=1S/C18H22F2N6O2/c1-4-10-6-22-26-13(25-8-17(2,3)18(19,20)9-25)5-12(23-14(10)26)11-7-21-16(28)24-15(11)27/h5-6,11H,4,7-9H2,1-3H3,(H2,21,24,27,28)
InChIKeyNGPIOGADVPBOSA-UHFFFAOYSA-N
MW392.41 g/mol
LogP1.70
Rot. Bonds3

About 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione

5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 171368462) has the molecular formula C18H22F2N6O2 and a molecular weight of 392.41 g/mol. Its IUPAC name is 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione
PubChem CID171368462
Molecular FormulaC18H22F2N6O2
Molecular Weight392.41 g/mol
Exact Mass392.18
IUPAC Name5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione
SMILESCCc1cnn2c(N3CC(C)(C)C(F)(F)C3)cc(C3CNC(=O)NC3=O)nc12
InChIInChI=1S/C18H22F2N6O2/c1-4-10-6-22-26-13(25-8-17(2,3)18(19,20)9-25)5-12(23-14(10)26)11-7-21-16(28)24-15(11)27/h5-6,11H,4,7-9H2,1-3H3,(H2,21,24,27,28)
InChIKeyNGPIOGADVPBOSA-UHFFFAOYSA-N
XLogP1.70
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-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

Frequently Asked Questions

What is the IUPAC name of 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione (CID 171368462) is 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione is CCc1cnn2c(N3CC(C)(C)C(F)(F)C3)cc(C3CNC(=O)NC3=O)nc12.
What is the InChIKey of 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
The InChIKey is NGPIOGADVPBOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N6O2/c1-4-10-6-22-26-13(25-8-17(2,3)18(19,20)9-25)5-12(23-14(10)26)11-7-21-16(28)24-15(11)27/h5-6,11H,4,7-9H2,1-3H3,(H2,21,24,27,28).
What are the key properties of 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione?
5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 392.41 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-3-ethylpyrazolo[1,5-a]pyrimidin-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171368462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).