6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one

C26H21F3N4O3 — CID 118927810

IUPAC6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one
SMILESC=C1NC(=O)[C@](CN2Cc3ccc(OC)cc3C2=O)(c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1
InChIInChI=1S/C26H21F3N4O3/c1-15-31-24(35)25(32-15,14-33-13-17-5-9-20(36-2)11-21(17)23(33)34)18-6-3-16(4-7-18)22-10-8-19(12-30-22)26(27,28)29/h3-12,32H,1,13-14H2,2H3,(H,31,35)/t25-/m0/s1
InChIKeyCCPFPCXMVCLORZ-VWLOTQADSA-N
MW494.47 g/mol
LogP3.82
Rot. Bonds5

About 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one

6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one (PubChem CID 118927810) has the molecular formula C26H21F3N4O3 and a molecular weight of 494.47 g/mol. Its IUPAC name is 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one
PubChem CID118927810
Molecular FormulaC26H21F3N4O3
Molecular Weight494.47 g/mol
Exact Mass494.16
IUPAC Name6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one
SMILESC=C1NC(=O)[C@](CN2Cc3ccc(OC)cc3C2=O)(c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1
InChIInChI=1S/C26H21F3N4O3/c1-15-31-24(35)25(32-15,14-33-13-17-5-9-20(36-2)11-21(17)23(33)34)18-6-3-16(4-7-18)22-10-8-19(12-30-22)26(27,28)29/h3-12,32H,1,13-14H2,2H3,(H,31,35)/t25-/m0/s1
InChIKeyCCPFPCXMVCLORZ-VWLOTQADSA-N
XLogP3.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one?
The IUPAC name of 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one (CID 118927810) is 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one is C=C1NC(=O)[C@](CN2Cc3ccc(OC)cc3C2=O)(c2ccc(-c3ccc(C(F)(F)F)cn3)cc2)N1.
What is the InChIKey of 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one?
The InChIKey is CCPFPCXMVCLORZ-VWLOTQADSA-N. The full InChI is InChI=1S/C26H21F3N4O3/c1-15-31-24(35)25(32-15,14-33-13-17-5-9-20(36-2)11-21(17)23(33)34)18-6-3-16(4-7-18)22-10-8-19(12-30-22)26(27,28)29/h3-12,32H,1,13-14H2,2H3,(H,31,35)/t25-/m0/s1.
What are the key properties of 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one?
6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one has a molecular weight of 494.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[[(4R)-2-methylidene-5-oxo-4-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidin-4-yl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 118927810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).