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

C25H22FN5O4 — CID 42623657

IUPAC1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ncccc2C2(CCN(c3cc(C(=O)N4CCc5cc(F)ccc54)cc(=O)[nH]3)CC2)O1
InChIInChI=1S/C25H22FN5O4/c26-17-3-4-19-15(12-17)5-9-31(19)23(33)16-13-20(28-21(32)14-16)30-10-6-25(7-11-30)18-2-1-8-27-22(18)29-24(34)35-25/h1-4,8,12-14H,5-7,9-11H2,(H,28,32)(H,27,29,34)
InChIKeyMLEVZYNVEKUDAG-UHFFFAOYSA-N
MW475.48 g/mol
LogP3.17
Rot. Bonds2

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

1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (PubChem CID 42623657) has the molecular formula C25H22FN5O4 and a molecular weight of 475.48 g/mol. Its IUPAC name is 1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
PubChem CID42623657
Molecular FormulaC25H22FN5O4
Molecular Weight475.48 g/mol
Exact Mass475.17
IUPAC Name1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one
SMILESO=C1Nc2ncccc2C2(CCN(c3cc(C(=O)N4CCc5cc(F)ccc54)cc(=O)[nH]3)CC2)O1
InChIInChI=1S/C25H22FN5O4/c26-17-3-4-19-15(12-17)5-9-31(19)23(33)16-13-20(28-21(32)14-16)30-10-6-25(7-11-30)18-2-1-8-27-22(18)29-24(34)35-25/h1-4,8,12-14H,5-7,9-11H2,(H,28,32)(H,27,29,34)
InChIKeyMLEVZYNVEKUDAG-UHFFFAOYSA-N
XLogP3.17
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The IUPAC name of 1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one (CID 42623657) is 1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The canonical SMILES for 1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-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)cc(=O)[nH]3)CC2)O1.
What is the InChIKey of 1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
The InChIKey is MLEVZYNVEKUDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O4/c26-17-3-4-19-15(12-17)5-9-31(19)23(33)16-13-20(28-21(32)14-16)30-10-6-25(7-11-30)18-2-1-8-27-22(18)29-24(34)35-25/h1-4,8,12-14H,5-7,9-11H2,(H,28,32)(H,27,29,34).
What are the key properties of 1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one?
1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one has a molecular weight of 475.48 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(5-fluoro-2,3-dihydroindole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]spiro[1H-pyrido[2,3-d][1,3]oxazine-4,4'-piperidine]-2-one is sourced from PubChem (CID 42623657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).