(4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile

C25H19ClN2O2S — CID 10599520

IUPAC(4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile
SMILESCc1ccc([S@](=O)C2=C(c3ccccc3)OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H19ClN2O2S/c1-16-7-13-20(14-8-16)31(29)24-22(17-9-11-19(26)12-10-17)21(15-27)25(28)30-23(24)18-5-3-2-4-6-18/h2-14,22H,28H2,1H3/t22-,31+/m1/s1
InChIKeyXFCHKNJWRJUKAQ-UVDDSOTQSA-N
MW446.96 g/mol
LogP5.63
Rot. Bonds4

About (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile

(4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile (PubChem CID 10599520) has the molecular formula C25H19ClN2O2S and a molecular weight of 446.96 g/mol. Its IUPAC name is (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name(4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile
PubChem CID10599520
Molecular FormulaC25H19ClN2O2S
Molecular Weight446.96 g/mol
Exact Mass446.09
IUPAC Name(4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile
SMILESCc1ccc([S@](=O)C2=C(c3ccccc3)OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H19ClN2O2S/c1-16-7-13-20(14-8-16)31(29)24-22(17-9-11-19(26)12-10-17)21(15-27)25(28)30-23(24)18-5-3-2-4-6-18/h2-14,22H,28H2,1H3/t22-,31+/m1/s1
InChIKeyXFCHKNJWRJUKAQ-UVDDSOTQSA-N
XLogP5.63
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-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

(4R)-2-amino-5-[(S)-(4-methylphenyl)sulfinyl]-4-(4-nitrophenyl)-6-pyridin-2-yl-4H-pyran-3-carbonitrile
CID 10837576
(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 2140571
ethyl (4R)-6-amino-5-cyano-2-methyl-4-(4-phenylphenyl)-4H-pyran-3-carboxylate
CID 1035685
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
ethyl (4S)-6-amino-5-cyano-2,4-bis(4-methylphenyl)-4H-pyran-3-carboxylate
CID 139079838
ethyl 6-amino-5-cyano-4-(3,4-dichlorophenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 3121290
(4R)-2-amino-4-(4-methylphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 92652790
(4S)-2-amino-4-(4-methylphenyl)-5,10-dioxo-4H-benzo[g]chromene-3-carbonitrile
CID 28611929
methyl 2-(6-amino-5-cyano-2,4-diphenyl-4H-pyran-3-yl)-2-oxoacetate
CID 45490378
(4S)-6-amino-4-(4-chlorophenyl)-3-methyl-1-(4-methylphenyl)-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 1215452
(4S)-2-amino-6-[(4-chlorophenyl)methyl]-4-(4-methylphenyl)-5,5-dioxo-4H-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile
CID 92893030
ethyl 6-amino-2-(chloromethyl)-5-cyano-4-(4-methylphenyl)-4H-pyran-3-carboxylate
CID 3836954

Frequently Asked Questions

What is the IUPAC name of (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile?
The IUPAC name of (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile (CID 10599520) is (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile.
What is the SMILES notation for (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile?
The canonical SMILES for (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile is Cc1ccc([S@](=O)C2=C(c3ccccc3)OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile?
The InChIKey is XFCHKNJWRJUKAQ-UVDDSOTQSA-N. The full InChI is InChI=1S/C25H19ClN2O2S/c1-16-7-13-20(14-8-16)31(29)24-22(17-9-11-19(26)12-10-17)21(15-27)25(28)30-23(24)18-5-3-2-4-6-18/h2-14,22H,28H2,1H3/t22-,31+/m1/s1.
What are the key properties of (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile?
(4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile has a molecular weight of 446.96 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-amino-4-(4-chlorophenyl)-5-[(S)-(4-methylphenyl)sulfinyl]-6-phenyl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 10599520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).