(2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide

C23H24F3N3O4 — CID 157227381

IUPAC(2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide
SMILESC[C@H](CC(=O)CCC(F)(F)F)C(=O)N[C@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21
InChIInChI=1S/C23H24F3N3O4/c1-14(13-15(31)8-9-23(24,25)26)21(32)28-19-17-6-3-2-5-16(17)18-7-4-10-27-20(18)29(11-12-30)22(19)33/h2-7,10,14,19,30H,8-9,11-13H2,1H3,(H,28,32)/t14-,19-/m1/s1
InChIKeyATRSPDFQDKSZBC-AUUYWEPGSA-N
MW463.46 g/mol
LogP3.18
Rot. Bonds8

About (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide

(2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide (PubChem CID 157227381) has the molecular formula C23H24F3N3O4 and a molecular weight of 463.46 g/mol. Its IUPAC name is (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide.

Molecular Properties

Compound Name(2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide
PubChem CID157227381
Molecular FormulaC23H24F3N3O4
Molecular Weight463.46 g/mol
Exact Mass463.17
IUPAC Name(2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide
SMILESC[C@H](CC(=O)CCC(F)(F)F)C(=O)N[C@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21
InChIInChI=1S/C23H24F3N3O4/c1-14(13-15(31)8-9-23(24,25)26)21(32)28-19-17-6-3-2-5-16(17)18-7-4-10-27-20(18)29(11-12-30)22(19)33/h2-7,10,14,19,30H,8-9,11-13H2,1H3,(H,28,32)/t14-,19-/m1/s1
InChIKeyATRSPDFQDKSZBC-AUUYWEPGSA-N
XLogP3.18
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide?
The IUPAC name of (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide (CID 157227381) is (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide.
What is the SMILES notation for (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide?
The canonical SMILES for (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide is C[C@H](CC(=O)CCC(F)(F)F)C(=O)N[C@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21.
What is the InChIKey of (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide?
The InChIKey is ATRSPDFQDKSZBC-AUUYWEPGSA-N. The full InChI is InChI=1S/C23H24F3N3O4/c1-14(13-15(31)8-9-23(24,25)26)21(32)28-19-17-6-3-2-5-16(17)18-7-4-10-27-20(18)29(11-12-30)22(19)33/h2-7,10,14,19,30H,8-9,11-13H2,1H3,(H,28,32)/t14-,19-/m1/s1.
What are the key properties of (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide?
(2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide has a molecular weight of 463.46 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7,7,7-trifluoro-N-[(7R)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]-2-methyl-4-oxoheptanamide is sourced from PubChem (CID 157227381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).