5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile

C27H25FN6O6 — CID 54695416

IUPAC5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)[nH]c(=O)c(C(c2ccc(F)cc2)c2c(O)c(C#N)c(N3CCOCC3)[nH]c2=O)c1O
InChIInChI=1S/C27H25FN6O6/c28-16-3-1-15(2-4-16)19(20-22(35)17(13-29)24(31-26(20)37)33-5-9-39-10-6-33)21-23(36)18(14-30)25(32-27(21)38)34-7-11-40-12-8-34/h1-4,19H,5-12H2,(H2,31,35,37)(H2,32,36,38)
InChIKeyYYJWBAJIHGLRGA-UHFFFAOYSA-N
MW548.53 g/mol
LogP1.21
Rot. Bonds5

About 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile

5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile (PubChem CID 54695416) has the molecular formula C27H25FN6O6 and a molecular weight of 548.53 g/mol. Its IUPAC name is 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile
PubChem CID54695416
Molecular FormulaC27H25FN6O6
Molecular Weight548.53 g/mol
Exact Mass548.18
IUPAC Name5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(N2CCOCC2)[nH]c(=O)c(C(c2ccc(F)cc2)c2c(O)c(C#N)c(N3CCOCC3)[nH]c2=O)c1O
InChIInChI=1S/C27H25FN6O6/c28-16-3-1-15(2-4-16)19(20-22(35)17(13-29)24(31-26(20)37)33-5-9-39-10-6-33)21-23(36)18(14-30)25(32-27(21)38)34-7-11-40-12-8-34/h1-4,19H,5-12H2,(H2,31,35,37)(H2,32,36,38)
InChIKeyYYJWBAJIHGLRGA-UHFFFAOYSA-N
XLogP1.21
TPSA178.70 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.53
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(5-cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile
CID 54695414
ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-phenylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate
CID 54695401
2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile
CID 15005318
3-methyl-6-morpholin-4-yl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 5472765
2-morpholin-4-yl-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carbonitrile
CID 135448837
13-(4-fluorophenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102356016
4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 155809027
4-[bis(4-fluorophenyl)methyl]morpholine
CID 25146239
3-[4-(4-fluorophenyl)piperazin-1-yl]-4-morpholin-4-ylcyclobut-3-ene-1,2-dione
CID 53368386
4-(4-fluorophenyl)-2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 155816411
4-(4-fluorophenyl)-2-(2-methylpropylsulfanyl)-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 155812103
4,5-dihydroxy-2-morpholin-4-ylbenzene-1,3-dicarbonitrile
CID 90015410

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile (CID 54695416) is 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(N2CCOCC2)[nH]c(=O)c(C(c2ccc(F)cc2)c2c(O)c(C#N)c(N3CCOCC3)[nH]c2=O)c1O.
What is the InChIKey of 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is YYJWBAJIHGLRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O6/c28-16-3-1-15(2-4-16)19(20-22(35)17(13-29)24(31-26(20)37)33-5-9-39-10-6-33)21-23(36)18(14-30)25(32-27(21)38)34-7-11-40-12-8-34/h1-4,19H,5-12H2,(H2,31,35,37)(H2,32,36,38).
What are the key properties of 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile?
5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 548.53 g/mol, XLogP of 1.21, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 54695416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).