5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile

C24H23F2N5O — CID 44608208

IUPAC5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C#N)nc4)cc3F)CC2)nc1
InChIInChI=1S/C24H23F2N5O/c1-2-16-12-29-24(30-13-16)31-7-5-17(6-8-31)15-32-23-21(25)9-19(10-22(23)26)18-3-4-20(11-27)28-14-18/h3-4,9-10,12-14,17H,2,5-8,15H2,1H3
InChIKeyGSIMEGUZAYXXNA-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.55
Rot. Bonds6

About 5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile

5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile (PubChem CID 44608208) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile
PubChem CID44608208
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C#N)nc4)cc3F)CC2)nc1
InChIInChI=1S/C24H23F2N5O/c1-2-16-12-29-24(30-13-16)31-7-5-17(6-8-31)15-32-23-21(25)9-19(10-22(23)26)18-3-4-20(11-27)28-14-18/h3-4,9-10,12-14,17H,2,5-8,15H2,1H3
InChIKeyGSIMEGUZAYXXNA-UHFFFAOYSA-N
XLogP4.55
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile (CID 44608208) is 5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile is CCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C#N)nc4)cc3F)CC2)nc1.
What is the InChIKey of 5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile?
The InChIKey is GSIMEGUZAYXXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-2-16-12-29-24(30-13-16)31-7-5-17(6-8-31)15-32-23-21(25)9-19(10-22(23)26)18-3-4-20(11-27)28-14-18/h3-4,9-10,12-14,17H,2,5-8,15H2,1H3.
What are the key properties of 5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile?
5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile has a molecular weight of 435.48 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 44608208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).