(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione

About (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione

(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione (PubChem CID 143509971) has the molecular formula C28H21F2N5O4 and a molecular weight of 529.50 g/mol. Its IUPAC name is (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione
PubChem CID	143509971
Molecular Formula	C28H21F2N5O4
Molecular Weight	529.50 g/mol
Exact Mass	529.16
IUPAC Name	(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione
SMILES	Cn1cc2c(n1)C=CC(c1ccc([C@]3(CN4Cc5ccc(OC(F)F)cc5C4=O)NC(=O)NC3=O)cc1)=C=C2
InChI	InChI=1S/C28H21F2N5O4/c1-34-13-19-3-2-16(7-11-23(19)33-34)17-4-8-20(9-5-17)28(25(37)31-27(38)32-28)15-35-14-18-6-10-21(39-26(29)30)12-22(18)24(35)36/h3-13,26H,14-15H2,1H3,(H2,31,32,37,38)/t28-/m0/s1
InChIKey	RBQHYWIPGFDPJD-NDEPHWFRSA-N
XLogP	3.43
TPSA	105.56 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.50
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione (CID 143509971) is (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione is Cn1cc2c(n1)C=CC(c1ccc([C@]3(CN4Cc5ccc(OC(F)F)cc5C4=O)NC(=O)NC3=O)cc1)=C=C2.

What is the InChIKey of (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione?

The InChIKey is RBQHYWIPGFDPJD-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H21F2N5O4/c1-34-13-19-3-2-16(7-11-23(19)33-34)17-4-8-20(9-5-17)28(25(37)31-27(38)32-28)15-35-14-18-6-10-21(39-26(29)30)12-22(18)24(35)36/h3-13,26H,14-15H2,1H3,(H2,31,32,37,38)/t28-/m0/s1.

What are the key properties of (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione?

(5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione has a molecular weight of 529.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[5-(difluoromethoxy)-3-oxo-1H-isoindol-2-yl]methyl]-5-[4-(2-methylcyclohepta[c]pyrazol-6-yl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 143509971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).