1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

C24H21FN6O3 — CID 58117478

IUPAC1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ncccc2C2(CCN(c3cc(C(=O)N4CCc5cc(F)ccc54)ncn3)CC2)O1
InChIInChI=1S/C24H21FN6O3/c25-16-3-4-19-15(12-16)5-9-31(19)22(32)18-13-20(28-14-27-18)30-10-6-24(7-11-30)17-2-1-8-26-21(17)29-23(33)34-24/h1-4,8,12-14H,5-7,9-11H2,(H,26,29,33)
InChIKeyKECNAYKFKSTGGR-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.27
Rot. Bonds2

About 1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one

1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (PubChem CID 58117478) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is 1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-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-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
PubChem CID58117478
Molecular FormulaC24H21FN6O3
Molecular Weight460.47 g/mol
Exact Mass460.17
IUPAC Name1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ncccc2C2(CCN(c3cc(C(=O)N4CCc5cc(F)ccc54)ncn3)CC2)O1
InChIInChI=1S/C24H21FN6O3/c25-16-3-4-19-15(12-16)5-9-31(19)22(32)18-13-20(28-14-27-18)30-10-6-24(7-11-30)17-2-1-8-26-21(17)29-23(33)34-24/h1-4,8,12-14H,5-7,9-11H2,(H,26,29,33)
InChIKeyKECNAYKFKSTGGR-UHFFFAOYSA-N
XLogP3.27
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-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-dihydroindole-1-carbonyl)pyrimidin-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-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (CID 58117478) is 1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-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-dihydroindole-1-carbonyl)pyrimidin-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-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is O=C1Nc2ncccc2C2(CCN(c3cc(C(=O)N4CCc5cc(F)ccc54)ncn3)CC2)O1.
What is the InChIKey of 1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The InChIKey is KECNAYKFKSTGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c25-16-3-4-19-15(12-16)5-9-31(19)22(32)18-13-20(28-14-27-18)30-10-6-24(7-11-30)17-2-1-8-26-21(17)29-23(33)34-24/h1-4,8,12-14H,5-7,9-11H2,(H,26,29,33).
What are the key properties of 1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
1'-[6-(5-fluoro-2,3-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one has a molecular weight of 460.47 g/mol, XLogP of 3.27, 2 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-dihydroindole-1-carbonyl)pyrimidin-4-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 58117478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).