2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol

C32H38FNO3 — CID 166804481

IUPAC2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol
SMILESCc1nc(OC2CCC(C(C)(C)O)CC2)ccc1-c1ccc(F)c(COc2ccc3c(c2)CC(C)C3)c1
InChIInChI=1S/C32H38FNO3/c1-20-15-22-5-9-28(18-24(22)16-20)36-19-25-17-23(6-13-30(25)33)29-12-14-31(34-21(29)2)37-27-10-7-26(8-11-27)32(3,4)35/h5-6,9,12-14,17-18,20,26-27,35H,7-8,10-11,15-16,19H2,1-4H3
InChIKeyKRPZODYSWWGMCJ-UHFFFAOYSA-N
MW503.66 g/mol
LogP7.22
Rot. Bonds7

About 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol

2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol (PubChem CID 166804481) has the molecular formula C32H38FNO3 and a molecular weight of 503.66 g/mol. Its IUPAC name is 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol
PubChem CID166804481
Molecular FormulaC32H38FNO3
Molecular Weight503.66 g/mol
Exact Mass503.28
IUPAC Name2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol
SMILESCc1nc(OC2CCC(C(C)(C)O)CC2)ccc1-c1ccc(F)c(COc2ccc3c(c2)CC(C)C3)c1
InChIInChI=1S/C32H38FNO3/c1-20-15-22-5-9-28(18-24(22)16-20)36-19-25-17-23(6-13-30(25)33)29-12-14-31(34-21(29)2)37-27-10-7-26(8-11-27)32(3,4)35/h5-6,9,12-14,17-18,20,26-27,35H,7-8,10-11,15-16,19H2,1-4H3
InChIKeyKRPZODYSWWGMCJ-UHFFFAOYSA-N
XLogP7.22
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.66
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol with MolForge

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Related Compounds

4-[[6-methyl-5-[2-methyl-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-2-pyridinyl]oxy]thiane 1,1-dioxide
CID 144870873
cis-(1S,2R)-3-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxymethyl]cyclohexane-1,2-diol
CID 129222543
ethyl (1S,1aS,6aR)-4-[[5-[6-[[(1R,2R,3S)-2,3-dihydroxycyclohexyl]methoxy]-2-methyl-3-pyridinyl]-2-fluorophenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylate
CID 175699034
(1S,1aS,6aR)-4-[[5-[6-(3-aminopropoxy)-2-methyl-3-pyridinyl]-2-fluorophenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 118182782
(1S,1aS,6aR)-4-[[2-fluoro-5-[6-(3-methoxypropoxy)-2-methyl-3-pyridinyl]phenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 129222505
(1S,1aS,6aR)-4-[[2-fluoro-5-[6-(4-hydroxypiperidin-1-yl)-2-methyl-3-pyridinyl]phenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 118182741
4-[[2-fluoro-5-[6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-methyl-3-pyridinyl]phenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 123690730
(1S,1aS,6aR)-4-[[2-fluoro-5-[2-methyl-6-[4-(methylsulfonylmethyl)piperidin-1-yl]-3-pyridinyl]phenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 118182824
(1S,1aS,6aR)-4-[[2-fluoro-5-[2-methyl-6-(3-methylsulfonylazetidin-1-yl)-3-pyridinyl]phenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 118182731
N-[[1-[5-[3-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yloxymethyl)-4-fluorophenyl]-6-methyl-2-pyridinyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 144863722
N-[[1-[5-[3-[[(6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]pyrrolidin-3-yl]methyl]methanesulfonamide
CID 166804489
1'-[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]spiro[indene-1,4'-piperidine]
CID 129222550

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol?
The IUPAC name of 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol (CID 166804481) is 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol is Cc1nc(OC2CCC(C(C)(C)O)CC2)ccc1-c1ccc(F)c(COc2ccc3c(c2)CC(C)C3)c1.
What is the InChIKey of 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol?
The InChIKey is KRPZODYSWWGMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FNO3/c1-20-15-22-5-9-28(18-24(22)16-20)36-19-25-17-23(6-13-30(25)33)29-12-14-31(34-21(29)2)37-27-10-7-26(8-11-27)32(3,4)35/h5-6,9,12-14,17-18,20,26-27,35H,7-8,10-11,15-16,19H2,1-4H3.
What are the key properties of 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol?
2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol has a molecular weight of 503.66 g/mol, XLogP of 7.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[4-fluoro-3-[(2-methyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-6-methyl-2-pyridinyl]oxy]cyclohexyl]propan-2-ol is sourced from PubChem (CID 166804481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).