[5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol

C23H24F3N3O3 — CID 123391148

IUPAC[5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol
SMILESCCCc1nc(OCC)c(-c2ccnc(OC(F)F)c2)cc1Cc1cnc(CO)c(F)c1
InChIInChI=1S/C23H24F3N3O3/c1-3-5-19-16(8-14-9-18(24)20(13-30)28-12-14)10-17(22(29-19)31-4-2)15-6-7-27-21(11-15)32-23(25)26/h6-7,9-12,23,30H,3-5,8,13H2,1-2H3
InChIKeyJXYDTVACHCXNMD-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.71
Rot. Bonds10

About [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol

[5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol (PubChem CID 123391148) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol
PubChem CID123391148
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name[5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol
SMILESCCCc1nc(OCC)c(-c2ccnc(OC(F)F)c2)cc1Cc1cnc(CO)c(F)c1
InChIInChI=1S/C23H24F3N3O3/c1-3-5-19-16(8-14-9-18(24)20(13-30)28-12-14)10-17(22(29-19)31-4-2)15-6-7-27-21(11-15)32-23(25)26/h6-7,9-12,23,30H,3-5,8,13H2,1-2H3
InChIKeyJXYDTVACHCXNMD-UHFFFAOYSA-N
XLogP4.71
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71519630
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71554709
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]cyclobutan-1-ol
CID 71554773
US10155760, Example 194
CID 118420039
(2S)-1-[5-[2-(difluoromethyl)pyridin-4-yl]-3-methylpyridin-2-yl]oxy-2,4-dimethylpentan-2-amine
CID 118429836
4-(4-Fluorophenyl)-6-(3-methyl-2-pyridinyl)-2-(pyridin-3-ylmethoxy)pyridine-3-carbonitrile
CID 154644627
2-(5-methoxy-3-pyridinyl)-3-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-5,6-dimethylpyrazine
CID 71085880
US10155760, Example 199
CID 118429986
2-(4-Methoxyphenyl)-6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]pyridine
CID 145981987
(2R)-2-[[3-fluoro-6-(6-propan-2-yloxy-3-pyridinyl)-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 68312597
2-[7-[(3,4-Difluorophenyl)methoxy]-1,5-naphthyridin-3-yl]propan-2-ol
CID 86301817
4-[[5-Fluoro-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-pyridinyl]methylamino]-3-methylbutan-1-ol
CID 92044535

Frequently Asked Questions

What is the IUPAC name of [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol?
The IUPAC name of [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol (CID 123391148) is [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol is CCCc1nc(OCC)c(-c2ccnc(OC(F)F)c2)cc1Cc1cnc(CO)c(F)c1.
What is the InChIKey of [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol?
The InChIKey is JXYDTVACHCXNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c1-3-5-19-16(8-14-9-18(24)20(13-30)28-12-14)10-17(22(29-19)31-4-2)15-6-7-27-21(11-15)32-23(25)26/h6-7,9-12,23,30H,3-5,8,13H2,1-2H3.
What are the key properties of [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol?
[5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol has a molecular weight of 447.46 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-[2-(difluoromethoxy)-4-pyridinyl]-6-ethoxy-2-propyl-3-pyridinyl]methyl]-3-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 123391148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).