6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C25H30FN5O4 — CID 138594285

IUPAC6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCC1CN(c2cc(F)c3c(c2)C(=O)OC32CCN(c3nc4c(c(=O)[nH]3)CCCN4)CC2)CC(C)O1
InChIInChI=1S/C25H30FN5O4/c1-14-12-31(13-15(2)34-14)16-10-18-20(19(26)11-16)25(35-23(18)33)5-8-30(9-6-25)24-28-21-17(22(32)29-24)4-3-7-27-21/h10-11,14-15H,3-9,12-13H2,1-2H3,(H2,27,28,29,32)
InChIKeyPJMAMNLFBKAFQY-UHFFFAOYSA-N
MW483.54 g/mol
LogP2.55
Rot. Bonds2

About 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 138594285) has the molecular formula C25H30FN5O4 and a molecular weight of 483.54 g/mol. Its IUPAC name is 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID138594285
Molecular FormulaC25H30FN5O4
Molecular Weight483.54 g/mol
Exact Mass483.23
IUPAC Name6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCC1CN(c2cc(F)c3c(c2)C(=O)OC32CCN(c3nc4c(c(=O)[nH]3)CCCN4)CC2)CC(C)O1
InChIInChI=1S/C25H30FN5O4/c1-14-12-31(13-15(2)34-14)16-10-18-20(19(26)11-16)25(35-23(18)33)5-8-30(9-6-25)24-28-21-17(22(32)29-24)4-3-7-27-21/h10-11,14-15H,3-9,12-13H2,1-2H3,(H2,27,28,29,32)
InChIKeyPJMAMNLFBKAFQY-UHFFFAOYSA-N
XLogP2.55
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 138594285) is 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is CC1CN(c2cc(F)c3c(c2)C(=O)OC32CCN(c3nc4c(c(=O)[nH]3)CCCN4)CC2)CC(C)O1.
What is the InChIKey of 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is PJMAMNLFBKAFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O4/c1-14-12-31(13-15(2)34-14)16-10-18-20(19(26)11-16)25(35-23(18)33)5-8-30(9-6-25)24-28-21-17(22(32)29-24)4-3-7-27-21/h10-11,14-15H,3-9,12-13H2,1-2H3,(H2,27,28,29,32).
What are the key properties of 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 483.54 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethylmorpholin-4-yl)-4-fluoro-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 138594285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).