[3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol

C24H23N5O4 — CID 123265968

IUPAC[3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3noc(CO)n3)cc2)nc1
InChIInChI=1S/C24H23N5O4/c1-14-25-11-20(15-3-5-16(6-4-15)23-28-22(12-30)33-29-23)24(27-14)32-13-17-9-19(17)21-8-7-18(31-2)10-26-21/h3-8,10-11,17,19,30H,9,12-13H2,1-2H3
InChIKeyMTUQJRYCARGLQU-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.58
Rot. Bonds8

About [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol

[3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol (PubChem CID 123265968) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol.

Molecular Properties

Compound Name[3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
PubChem CID123265968
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name[3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol
SMILESCOc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3noc(CO)n3)cc2)nc1
InChIInChI=1S/C24H23N5O4/c1-14-25-11-20(15-3-5-16(6-4-15)23-28-22(12-30)33-29-23)24(27-14)32-13-17-9-19(17)21-8-7-18(31-2)10-26-21/h3-8,10-11,17,19,30H,9,12-13H2,1-2H3
InChIKeyMTUQJRYCARGLQU-UHFFFAOYSA-N
XLogP3.58
TPSA116.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazole
CID 123839926
4-[4-[[(1S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzoic acid
CID 118474071
N-imino-4-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]benzenecarboximidamide
CID 144632643
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123528273
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123278187
1-[5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-pyridinyl]cyclobutan-1-ol
CID 123926099
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-4-methyl-1,3-oxazole
CID 90182321
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
CID 71488705
5-methoxy-4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632598
1-(difluoromethyl)-5-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]pyridin-2-one
CID 123583098
5-(3-methoxy-1-methylpyrazol-5-yl)-4-[[(2R)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
CID 144632580
cyclobutene;4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2,5-dimethylpyrimidine
CID 144632685

Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The IUPAC name of [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol (CID 123265968) is [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol.
What is the SMILES notation for [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The canonical SMILES for [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol is COc1ccc(C2CC2COc2nc(C)ncc2-c2ccc(-c3noc(CO)n3)cc2)nc1.
What is the InChIKey of [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
The InChIKey is MTUQJRYCARGLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-14-25-11-20(15-3-5-16(6-4-15)23-28-22(12-30)33-29-23)24(27-14)32-13-17-9-19(17)21-8-7-18(31-2)10-26-21/h3-8,10-11,17,19,30H,9,12-13H2,1-2H3.
What are the key properties of [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol?
[3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol has a molecular weight of 445.48 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazol-5-yl]methanol is sourced from PubChem (CID 123265968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).