1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

C26H28FN5O4 — CID 71011851

IUPAC1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCOC1CC(N2CCC3(CC2)OC(=O)Nc2ncccc23)=CC(C(=O)N2CCC3C=C(F)C=CC32)=N1
InChIInChI=1S/C26H28FN5O4/c1-35-22-15-18(14-20(29-22)24(33)32-10-6-16-13-17(27)4-5-21(16)32)31-11-7-26(8-12-31)19-3-2-9-28-23(19)30-25(34)36-26/h2-5,9,13-14,16,21-22H,6-8,10-12,15H2,1H3,(H,28,30,34)
InChIKeyULKHSUCUIFSLLU-UHFFFAOYSA-N
MW493.54 g/mol
LogP3.28
Rot. Bonds3

About 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (PubChem CID 71011851) has the molecular formula C26H28FN5O4 and a molecular weight of 493.54 g/mol. Its IUPAC name is 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
PubChem CID71011851
Molecular FormulaC26H28FN5O4
Molecular Weight493.54 g/mol
Exact Mass493.21
IUPAC Name1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESCOC1CC(N2CCC3(CC2)OC(=O)Nc2ncccc23)=CC(C(=O)N2CCC3C=C(F)C=CC32)=N1
InChIInChI=1S/C26H28FN5O4/c1-35-22-15-18(14-20(29-22)24(33)32-10-6-16-13-17(27)4-5-21(16)32)31-11-7-26(8-12-31)19-3-2-9-28-23(19)30-25(34)36-26/h2-5,9,13-14,16,21-22H,6-8,10-12,15H2,1H3,(H,28,30,34)
InChIKeyULKHSUCUIFSLLU-UHFFFAOYSA-N
XLogP3.28
TPSA96.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (CID 71011851) is 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is COC1CC(N2CCC3(CC2)OC(=O)Nc2ncccc23)=CC(C(=O)N2CCC3C=C(F)C=CC32)=N1.
What is the InChIKey of 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The InChIKey is ULKHSUCUIFSLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O4/c1-35-22-15-18(14-20(29-22)24(33)32-10-6-16-13-17(27)4-5-21(16)32)31-11-7-26(8-12-31)19-3-2-9-28-23(19)30-25(34)36-26/h2-5,9,13-14,16,21-22H,6-8,10-12,15H2,1H3,(H,28,30,34).
What are the key properties of 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one has a molecular weight of 493.54 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-(5-fluoro-2,3,3a,7a-tetrahydroindole-1-carbonyl)-2-methoxy-2,3-dihydropyridin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 71011851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).