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

C23H26FN5O4 — CID 138594370

IUPAC7-fluoro-6-morpholin-4-yl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4c(c(=O)[nH]3)CCCN4)CC2)c2ccc(N3CCOCC3)c(F)c21
InChIInChI=1S/C23H26FN5O4/c24-18-16(28-10-12-32-13-11-28)4-3-15-17(18)21(31)33-23(15)5-8-29(9-6-23)22-26-19-14(20(30)27-22)2-1-7-25-19/h3-4H,1-2,5-13H2,(H2,25,26,27,30)
InChIKeyVOOMDOWWDFRAOP-UHFFFAOYSA-N
MW455.49 g/mol
LogP1.77
Rot. Bonds2

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

7-fluoro-6-morpholin-4-yl-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 138594370) has the molecular formula C23H26FN5O4 and a molecular weight of 455.49 g/mol. Its IUPAC name is 7-fluoro-6-morpholin-4-yl-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 Name7-fluoro-6-morpholin-4-yl-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 CID138594370
Molecular FormulaC23H26FN5O4
Molecular Weight455.49 g/mol
Exact Mass455.20
IUPAC Name7-fluoro-6-morpholin-4-yl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(c3nc4c(c(=O)[nH]3)CCCN4)CC2)c2ccc(N3CCOCC3)c(F)c21
InChIInChI=1S/C23H26FN5O4/c24-18-16(28-10-12-32-13-11-28)4-3-15-17(18)21(31)33-23(15)5-8-29(9-6-23)22-26-19-14(20(30)27-22)2-1-7-25-19/h3-4H,1-2,5-13H2,(H2,25,26,27,30)
InChIKeyVOOMDOWWDFRAOP-UHFFFAOYSA-N
XLogP1.77
TPSA99.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-fluoro-6-morpholin-4-yl-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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-morpholin-4-yl-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 7-fluoro-6-morpholin-4-yl-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 138594370) is 7-fluoro-6-morpholin-4-yl-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 7-fluoro-6-morpholin-4-yl-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 7-fluoro-6-morpholin-4-yl-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 O=C1OC2(CCN(c3nc4c(c(=O)[nH]3)CCCN4)CC2)c2ccc(N3CCOCC3)c(F)c21.
What is the InChIKey of 7-fluoro-6-morpholin-4-yl-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 VOOMDOWWDFRAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4/c24-18-16(28-10-12-32-13-11-28)4-3-15-17(18)21(31)33-23(15)5-8-29(9-6-23)22-26-19-14(20(30)27-22)2-1-7-25-19/h3-4H,1-2,5-13H2,(H2,25,26,27,30).
What are the key properties of 7-fluoro-6-morpholin-4-yl-1'-(4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
7-fluoro-6-morpholin-4-yl-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 455.49 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-morpholin-4-yl-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 138594370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).