5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione

C25H18F3N7O3 — CID 139392218

IUPAC5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N1CCn2ncc(C3NC(=O)NC3=O)c2C1=O
InChIInChI=1S/C25H18F3N7O3/c1-12-8-13(21-29-10-14-9-15(25(26,27)28)3-4-17(14)31-21)2-5-18(12)34-6-7-35-20(23(34)37)16(11-30-35)19-22(36)33-24(38)32-19/h2-5,8-11,19H,6-7H2,1H3,(H2,32,33,36,38)
InChIKeyHWOQQRPVZFWTHL-UHFFFAOYSA-N
MW521.46 g/mol
LogP3.36
Rot. Bonds3

About 5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione

5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione (PubChem CID 139392218) has the molecular formula C25H18F3N7O3 and a molecular weight of 521.46 g/mol. Its IUPAC name is 5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione
PubChem CID139392218
Molecular FormulaC25H18F3N7O3
Molecular Weight521.46 g/mol
Exact Mass521.14
IUPAC Name5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N1CCn2ncc(C3NC(=O)NC3=O)c2C1=O
InChIInChI=1S/C25H18F3N7O3/c1-12-8-13(21-29-10-14-9-15(25(26,27)28)3-4-17(14)31-21)2-5-18(12)34-6-7-35-20(23(34)37)16(11-30-35)19-22(36)33-24(38)32-19/h2-5,8-11,19H,6-7H2,1H3,(H2,32,33,36,38)
InChIKeyHWOQQRPVZFWTHL-UHFFFAOYSA-N
XLogP3.36
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione (CID 139392218) is 5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione is Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N1CCn2ncc(C3NC(=O)NC3=O)c2C1=O.
What is the InChIKey of 5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione?
The InChIKey is HWOQQRPVZFWTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N7O3/c1-12-8-13(21-29-10-14-9-15(25(26,27)28)3-4-17(14)31-21)2-5-18(12)34-6-7-35-20(23(34)37)16(11-30-35)19-22(36)33-24(38)32-19/h2-5,8-11,19H,6-7H2,1H3,(H2,32,33,36,38).
What are the key properties of 5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione?
5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione has a molecular weight of 521.46 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 139392218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).