(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione

C25H22F3N5O3 — CID 89344200

IUPAC(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
SMILESC=C1c2cc(OC)ccc2CN1C[C@@]1(c2ccc(-c3cn(C)nc3C(F)(F)F)cc2)NC(=O)NC1=O
InChIInChI=1S/C25H22F3N5O3/c1-14-19-10-18(36-3)9-6-16(19)11-33(14)13-24(22(34)29-23(35)30-24)17-7-4-15(5-8-17)20-12-32(2)31-21(20)25(26,27)28/h4-10,12H,1,11,13H2,2-3H3,(H2,29,30,34,35)/t24-/m0/s1
InChIKeyQPNROHGUPWNIRV-DEOSSOPVSA-N
MW497.48 g/mol
LogP3.64
Rot. Bonds5

About (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione

(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 89344200) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
PubChem CID89344200
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione
SMILESC=C1c2cc(OC)ccc2CN1C[C@@]1(c2ccc(-c3cn(C)nc3C(F)(F)F)cc2)NC(=O)NC1=O
InChIInChI=1S/C25H22F3N5O3/c1-14-19-10-18(36-3)9-6-16(19)11-33(14)13-24(22(34)29-23(35)30-24)17-7-4-15(5-8-17)20-12-32(2)31-21(20)25(26,27)28/h4-10,12H,1,11,13H2,2-3H3,(H2,29,30,34,35)/t24-/m0/s1
InChIKeyQPNROHGUPWNIRV-DEOSSOPVSA-N
XLogP3.64
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione (CID 89344200) is (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione is C=C1c2cc(OC)ccc2CN1C[C@@]1(c2ccc(-c3cn(C)nc3C(F)(F)F)cc2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?
The InChIKey is QPNROHGUPWNIRV-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c1-14-19-10-18(36-3)9-6-16(19)11-33(14)13-24(22(34)29-23(35)30-24)17-7-4-15(5-8-17)20-12-32(2)31-21(20)25(26,27)28/h4-10,12H,1,11,13H2,2-3H3,(H2,29,30,34,35)/t24-/m0/s1.
What are the key properties of (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione?
(5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 497.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(5-methoxy-3-methylidene-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 89344200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).