N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide

C26H26F3N7O4 — CID 71084487

IUPACN-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
SMILESCc1cc2c(c3cn[nH]c13)CN(CC(F)(F)F)C(=O)[C@H](NC(=O)N1CCC3(CC1)OC(=O)Nc1ncccc13)C2
InChIInChI=1S/C26H26F3N7O4/c1-14-9-15-10-19(22(37)36(13-26(27,28)29)12-17(15)16-11-31-34-20(14)16)32-23(38)35-7-4-25(5-8-35)18-3-2-6-30-21(18)33-24(39)40-25/h2-3,6,9,11,19H,4-5,7-8,10,12-13H2,1H3,(H,31,34)(H,32,38)(H,30,33,39)/t19-/m1/s1
InChIKeyRGCHLIYCLDEYOZ-LJQANCHMSA-N
MW557.53 g/mol
LogP3.34
Rot. Bonds2

About N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide

N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide (PubChem CID 71084487) has the molecular formula C26H26F3N7O4 and a molecular weight of 557.53 g/mol. Its IUPAC name is N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
PubChem CID71084487
Molecular FormulaC26H26F3N7O4
Molecular Weight557.53 g/mol
Exact Mass557.20
IUPAC NameN-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide
SMILESCc1cc2c(c3cn[nH]c13)CN(CC(F)(F)F)C(=O)[C@H](NC(=O)N1CCC3(CC1)OC(=O)Nc1ncccc13)C2
InChIInChI=1S/C26H26F3N7O4/c1-14-9-15-10-19(22(37)36(13-26(27,28)29)12-17(15)16-11-31-34-20(14)16)32-23(38)35-7-4-25(5-8-35)18-3-2-6-30-21(18)33-24(39)40-25/h2-3,6,9,11,19H,4-5,7-8,10,12-13H2,1H3,(H,31,34)(H,32,38)(H,30,33,39)/t19-/m1/s1
InChIKeyRGCHLIYCLDEYOZ-LJQANCHMSA-N
XLogP3.34
TPSA132.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.53
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide (CID 71084487) is N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide is Cc1cc2c(c3cn[nH]c13)CN(CC(F)(F)F)C(=O)[C@H](NC(=O)N1CCC3(CC1)OC(=O)Nc1ncccc13)C2.
What is the InChIKey of N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide?
The InChIKey is RGCHLIYCLDEYOZ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26F3N7O4/c1-14-9-15-10-19(22(37)36(13-26(27,28)29)12-17(15)16-11-31-34-20(14)16)32-23(38)35-7-4-25(5-8-35)18-3-2-6-30-21(18)33-24(39)40-25/h2-3,6,9,11,19H,4-5,7-8,10,12-13H2,1H3,(H,31,34)(H,32,38)(H,30,33,39)/t19-/m1/s1.
What are the key properties of N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide?
N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide has a molecular weight of 557.53 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R)-4-methyl-8-oxo-9-(2,2,2-trifluoroethyl)-3,6,7,10-tetrahydropyrazolo[5,4-i][2]benzazepin-7-yl]-2-oxospiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 71084487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).