4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine

C23H23Cl2FN4O2 — CID 76775285

IUPAC4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine
SMILESCc1nnc(C)n1-c1ccc(OC2c3cc(Cl)cc(Cl)c3CC2N2CCOCC2)c(F)c1
InChIInChI=1S/C23H23Cl2FN4O2/c1-13-27-28-14(2)30(13)16-3-4-22(20(26)11-16)32-23-18-9-15(24)10-19(25)17(18)12-21(23)29-5-7-31-8-6-29/h3-4,9-11,21,23H,5-8,12H2,1-2H3
InChIKeyGQCOEGBXDJTQPO-UHFFFAOYSA-N
MW477.37 g/mol
LogP4.71
Rot. Bonds4

About 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine

4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine (PubChem CID 76775285) has the molecular formula C23H23Cl2FN4O2 and a molecular weight of 477.37 g/mol. Its IUPAC name is 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine
PubChem CID76775285
Molecular FormulaC23H23Cl2FN4O2
Molecular Weight477.37 g/mol
Exact Mass476.12
IUPAC Name4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine
SMILESCc1nnc(C)n1-c1ccc(OC2c3cc(Cl)cc(Cl)c3CC2N2CCOCC2)c(F)c1
InChIInChI=1S/C23H23Cl2FN4O2/c1-13-27-28-14(2)30(13)16-3-4-22(20(26)11-16)32-23-18-9-15(24)10-19(25)17(18)12-21(23)29-5-7-31-8-6-29/h3-4,9-11,21,23H,5-8,12H2,1-2H3
InChIKeyGQCOEGBXDJTQPO-UHFFFAOYSA-N
XLogP4.71
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

1-[(1S,2S)-6-chloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67309607
N'-[(1S,2S)-4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 58393600
(3R)-1-[(1R,2S)-4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2,3-difluorophenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67310213
(3R)-1-[(1S,2S)-4,6-dichloro-1-[4-(2,4-dimethylimidazol-1-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 58393746
1-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]-1,4-diazepane
CID 76775018
(3R)-1-[(1R,2S)-4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2,3-dimethylphenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67311481
4-[[(1S,2S)-4,6-dichloro-2-piperidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorobenzonitrile
CID 58393837
4-[3-chloro-4-[[(1S,2S)-6-chloro-2-[(3R)-3-fluoropyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-3,5-dimethyl-1,2,4-triazole
CID 58393554
(3R)-1-[(1R,2S)-4,6-dichloro-1-[2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67309827
1-[4-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-fluorophenyl]-3H-pyrrol-2-one
CID 58394203
8-[[2-(azetidin-1-yl)-4,6-dichloro-2,3-dihydro-1H-inden-1-yl]oxy]-5-fluoroquinoline
CID 67311113
1-[(1S,2S)-4,6-dichloro-1-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
CID 67310643

Frequently Asked Questions

What is the IUPAC name of 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine?
The IUPAC name of 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine (CID 76775285) is 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine?
The canonical SMILES for 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine is Cc1nnc(C)n1-c1ccc(OC2c3cc(Cl)cc(Cl)c3CC2N2CCOCC2)c(F)c1.
What is the InChIKey of 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine?
The InChIKey is GQCOEGBXDJTQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2FN4O2/c1-13-27-28-14(2)30(13)16-3-4-22(20(26)11-16)32-23-18-9-15(24)10-19(25)17(18)12-21(23)29-5-7-31-8-6-29/h3-4,9-11,21,23H,5-8,12H2,1-2H3.
What are the key properties of 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine?
4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine has a molecular weight of 477.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-dichloro-1-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-2-fluorophenoxy]-2,3-dihydro-1H-inden-2-yl]morpholine is sourced from PubChem (CID 76775285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).