methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)

C60H70F10N4O12 — CID 158686280

IUPACmethane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)
SMILESC.C.C.C.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O
InChIInChI=1S/2C28H27F5N2O6.4CH4/c2*1-15(29)18-12-17(4-6-19(18)30)26-22(39-2)8-9-24(35-26)27(38,28(31,32)33)11-10-20(36)16-5-7-21(23(13-16)40-3)41-14-25(34)37;;;;/h2*4-9,12-13,15,38H,10-11,14H2,1-3H3,(H2,34,37);4*1H4
InChIKeyIFTXSWFKCKDFNG-UHFFFAOYSA-N
MW1229.22 g/mol
LogP12.97
Rot. Bonds24

About methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)

methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) (PubChem CID 158686280) has the molecular formula C60H70F10N4O12 and a molecular weight of 1229.22 g/mol. Its IUPAC name is methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide).

Molecular Properties

Compound Namemethane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)
PubChem CID158686280
Molecular FormulaC60H70F10N4O12
Molecular Weight1229.22 g/mol
Exact Mass1228.48
IUPAC Namemethane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)
SMILESC.C.C.C.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O
InChIInChI=1S/2C28H27F5N2O6.4CH4/c2*1-15(29)18-12-17(4-6-19(18)30)26-22(39-2)8-9-24(35-26)27(38,28(31,32)33)11-10-20(36)16-5-7-21(23(13-16)40-3)41-14-25(34)37;;;;/h2*4-9,12-13,15,38H,10-11,14H2,1-3H3,(H2,34,37);4*1H4
InChIKeyIFTXSWFKCKDFNG-UHFFFAOYSA-N
XLogP12.97
TPSA241.94 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds24
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001229.22
LogP ≤ 512.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) with MolForge

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Related Compounds

benzyl N-[6-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-2-pyridinyl]-5-[[3-methoxy-4-[2-[(4-methoxyphenyl)methoxy]ethoxy]benzoyl]amino]-6-oxohexyl]carbamate
CID 90062010
N-[(2R)-2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(2-oxopiperidin-3-yl)oxybenzamide
CID 117924736
4-(2,2-difluoroethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-5-methoxypyridin-2-yl]-2-hydroxypropyl]benzamide
CID 117924737
4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-(4-fluorophenyl)-5-methoxypyridin-2-yl]-2-hydroxypropyl]benzamide
CID 117924778
benzyl N-[2-[6-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)-3-methoxy-4-pyridinyl]propan-2-yl]carbamate
CID 117924845
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxypyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxy-4-(2-oxopiperidin-3-yl)oxybenzamide
CID 117936659
4-(2-amino-2-oxoethoxy)-N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)pyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
CID 117936744
N-[2-[4-(2-acetamidopropan-2-yl)-6-(4-fluorophenyl)pyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 117936793
4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-ethyl-4-fluorophenyl)-5-methoxypyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
CID 117936913
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxypyridin-2-yl]-2-hydroxypropyl]benzamide
CID 117936914
N-[2-[5-(2-aminoethoxy)-6-(4-fluorophenyl)pyridin-2-yl]-3,3,3-trifluoro-2-hydroxypropyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 117936924
tert-butyl N-[2-[6-[3-[(4-cyclopropyloxy-3-methoxybenzoyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-2-(4-fluorophenyl)pyridin-3-yl]oxyethyl]carbamate
CID 117936925

Frequently Asked Questions

What is the IUPAC name of methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?
The IUPAC name of methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) (CID 158686280) is methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide).
What is the SMILES notation for methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?
The canonical SMILES for methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) is C.C.C.C.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.COc1cc(C(=O)CCC(O)(c2ccc(OC)c(-c3ccc(F)c(C(C)F)c3)n2)C(F)(F)F)ccc1OCC(N)=O.
What is the InChIKey of methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?
The InChIKey is IFTXSWFKCKDFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27F5N2O6.4CH4/c2*1-15(29)18-12-17(4-6-19(18)30)26-22(39-2)8-9-24(35-26)27(38,28(31,32)33)11-10-20(36)16-5-7-21(23(13-16)40-3)41-14-25(34)37;;;;/h2*4-9,12-13,15,38H,10-11,14H2,1-3H3,(H2,34,37);4*1H4.
What are the key properties of methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide)?
methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) has a molecular weight of 1229.22 g/mol, XLogP of 12.97, 24 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methane;bis(2-[2-methoxy-4-[5,5,5-trifluoro-4-[6-[4-fluoro-3-(1-fluoroethyl)phenyl]-5-methoxy-2-pyridinyl]-4-hydroxypentanoyl]phenoxy]acetamide) is sourced from PubChem (CID 158686280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).