2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile

C24H23F2N5O2 — CID 68725826

IUPAC2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile
SMILESCCCc1cnc(N2CCC(Oc3cc[nH]c(=O)c3-c3cc(F)c(C#N)cc3F)CC2)nc1
InChIInChI=1S/C24H23F2N5O2/c1-2-3-15-13-29-24(30-14-15)31-8-5-17(6-9-31)33-21-4-7-28-23(32)22(21)18-11-19(25)16(12-27)10-20(18)26/h4,7,10-11,13-14,17H,2-3,5-6,8-9H2,1H3,(H,28,32)
InChIKeyXCURBHUMYUWUEH-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.98
Rot. Bonds6

About 2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile

2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile (PubChem CID 68725826) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile.

Molecular Properties

Compound Name2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile
PubChem CID68725826
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile
SMILESCCCc1cnc(N2CCC(Oc3cc[nH]c(=O)c3-c3cc(F)c(C#N)cc3F)CC2)nc1
InChIInChI=1S/C24H23F2N5O2/c1-2-3-15-13-29-24(30-14-15)31-8-5-17(6-9-31)33-21-4-7-28-23(32)22(21)18-11-19(25)16(12-27)10-20(18)26/h4,7,10-11,13-14,17H,2-3,5-6,8-9H2,1H3,(H,28,32)
InChIKeyXCURBHUMYUWUEH-UHFFFAOYSA-N
XLogP3.98
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one
CID 67369617
1-(3-fluoro-4-isocyanophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile
CID 58483085
4-[4-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxycyclohexyl]oxypyridine-3-carbonitrile
CID 71491294
1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 57468392
2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine
CID 154460847
4-[2,6-difluoro-4-(5-pentylpyrimidin-2-yl)phenyl]-2,5-difluorobenzonitrile
CID 19380602
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
methyl 4-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]oxy-1-(4-cyano-3-fluorophenyl)-6-oxopyridazine-3-carboxylate
CID 44621090
4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-[4-(3,3,3-trifluoro-2-oxopropyl)phenyl]pyridin-2-one
CID 58458104
N-[2-fluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-pyridinyl]phenyl]-2-methylpropanamide;molecular hydrogen
CID 161233672
1-[5-(3-hydroxy-2-oxopyrrolidin-1-yl)-6-methyl-2-pyridinyl]-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 72549726

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile?
The IUPAC name of 2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile (CID 68725826) is 2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile.
What is the SMILES notation for 2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile?
The canonical SMILES for 2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile is CCCc1cnc(N2CCC(Oc3cc[nH]c(=O)c3-c3cc(F)c(C#N)cc3F)CC2)nc1.
What is the InChIKey of 2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile?
The InChIKey is XCURBHUMYUWUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c1-2-3-15-13-29-24(30-14-15)31-8-5-17(6-9-31)33-21-4-7-28-23(32)22(21)18-11-19(25)16(12-27)10-20(18)26/h4,7,10-11,13-14,17H,2-3,5-6,8-9H2,1H3,(H,28,32).
What are the key properties of 2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile?
2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile has a molecular weight of 451.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile is sourced from PubChem (CID 68725826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).