2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile

C25H17FN2O2 — CID 5032104

IUPAC2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile
SMILESN#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)C1c1cccc(F)c1
InChIInChI=1S/C25H17FN2O2/c26-19-13-7-12-18(14-19)21-20(15-27)25(28)30-24(17-10-5-2-6-11-17)22(21)23(29)16-8-3-1-4-9-16/h1-14,21H,28H2
InChIKeyFRDRANCVWUKXEC-UHFFFAOYSA-N
MW396.42 g/mol
LogP4.93
Rot. Bonds4

About 2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile

2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile (PubChem CID 5032104) has the molecular formula C25H17FN2O2 and a molecular weight of 396.42 g/mol. Its IUPAC name is 2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile
PubChem CID5032104
Molecular FormulaC25H17FN2O2
Molecular Weight396.42 g/mol
Exact Mass396.13
IUPAC Name2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile
SMILESN#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)C1c1cccc(F)c1
InChIInChI=1S/C25H17FN2O2/c26-19-13-7-12-18(14-19)21-20(15-27)25(28)30-24(17-10-5-2-6-11-17)22(21)23(29)16-8-3-1-4-9-16/h1-14,21H,28H2
InChIKeyFRDRANCVWUKXEC-UHFFFAOYSA-N
XLogP4.93
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-2-amino-5-benzoyl-4,6-diphenyl-4H-pyran-3-carbonitrile
CID 2140571
propan-2-yl 6-amino-5-cyano-4-(3-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate
CID 3156182
acetonitrile;(4S)-2-amino-5-benzoyl-6-methyl-4-phenyl-4H-pyran-3-carbonitrile
CID 139060015
(4S,7S)-2-amino-4-(3-fluorophenyl)-5-oxo-7-phenyl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 1035913
benzyl 2-amino-5-cyano-4-(3-fluorophenyl)-6-methyl-4H-pyran-3-carboxylate
CID 171987305
methyl 2-(6-amino-5-cyano-2,4-diphenyl-4H-pyran-3-yl)-2-oxoacetate
CID 45490378
3-(5-acetyl-2-amino-3-cyano-6-methyl-4H-pyran-4-yl)benzoic acid
CID 122691161
(4R,7R)-2-amino-4-(3-fluorophenyl)-7-methyl-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 765331
2-amino-4,5,6-triphenyl-4H-pyran-3-carbonitrile
CID 12957265
(4R)-2-amino-4-(3-fluorophenyl)-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-4H-pyran-3-carbonitrile
CID 42564356
ethyl 6-amino-5-cyano-4-(3,4-dichlorophenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 3121290
ethyl 6-amino-5-cyano-4-(3,4-dimethoxyphenyl)-2-phenyl-4H-pyran-3-carboxylate
CID 3160932

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile?
The IUPAC name of 2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile (CID 5032104) is 2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile.
What is the SMILES notation for 2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile?
The canonical SMILES for 2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile is N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)C1c1cccc(F)c1.
What is the InChIKey of 2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile?
The InChIKey is FRDRANCVWUKXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN2O2/c26-19-13-7-12-18(14-19)21-20(15-27)25(28)30-24(17-10-5-2-6-11-17)22(21)23(29)16-8-3-1-4-9-16/h1-14,21H,28H2.
What are the key properties of 2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile?
2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile has a molecular weight of 396.42 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-benzoyl-4-(3-fluorophenyl)-6-phenyl-4H-pyran-3-carbonitrile is sourced from PubChem (CID 5032104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).