5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine

C25H23ClF2N2O — CID 42634580

IUPAC5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(C)(C)Oc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4F)=N3)c(Cl)c2)cn1
InChIInChI=1S/C25H23ClF2N2O/c1-25(2,3)31-23-12-8-16(14-29-23)15-7-9-17(18(26)13-15)21-10-11-22(30-21)24-19(27)5-4-6-20(24)28/h4-9,12-14,21H,10-11H2,1-3H3/t21-/m1/s1
InChIKeyKWCFQXFCZDRJAJ-OAQYLSRUSA-N
MW440.92 g/mol
LogP7.18
Rot. Bonds4

About 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine

5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 42634580) has the molecular formula C25H23ClF2N2O and a molecular weight of 440.92 g/mol. Its IUPAC name is 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine.

Molecular Properties

Compound Name5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine
PubChem CID42634580
Molecular FormulaC25H23ClF2N2O
Molecular Weight440.92 g/mol
Exact Mass440.15
IUPAC Name5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(C)(C)Oc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4F)=N3)c(Cl)c2)cn1
InChIInChI=1S/C25H23ClF2N2O/c1-25(2,3)31-23-12-8-16(14-29-23)15-7-9-17(18(26)13-15)21-10-11-22(30-21)24-19(27)5-4-6-20(24)28/h4-9,12-14,21H,10-11H2,1-3H3/t21-/m1/s1
InChIKeyKWCFQXFCZDRJAJ-OAQYLSRUSA-N
XLogP7.18
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.92
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine (CID 42634580) is 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine is CC(C)(C)Oc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4F)=N3)c(Cl)c2)cn1.
What is the InChIKey of 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is KWCFQXFCZDRJAJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23ClF2N2O/c1-25(2,3)31-23-12-8-16(14-29-23)15-7-9-17(18(26)13-15)21-10-11-22(30-21)24-19(27)5-4-6-20(24)28/h4-9,12-14,21H,10-11H2,1-3H3/t21-/m1/s1.
What are the key properties of 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine?
5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine has a molecular weight of 440.92 g/mol, XLogP of 7.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-[(2R)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]phenyl]-2-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 42634580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).