4-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 138594226

IUPAC4-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)c2c(F)cc(N3CCOCC3)cc21
InChIInChI=1S/C23H26FN5O4/c24-17-13-14(28-8-10-32-11-9-28)12-16-18(17)23(33-21(16)31)3-6-29(7-4-23)22-26-19-15(20(30)27-22)2-1-5-25-19/h12-13H,1-11H2,(H2,25,26,27,30)
InChIKeyJZGCVTONEHPCLN-UHFFFAOYSA-N
MW455.49 g/mol
LogP1.77
Rot. Bonds2

About 4-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

4-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 138594226) has the molecular formula C23H26FN5O4 and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-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 Name4-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 CID138594226
Molecular FormulaC23H26FN5O4
Molecular Weight455.49 g/mol
Exact Mass455.20
IUPAC Name4-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)c2c(F)cc(N3CCOCC3)cc21
InChIInChI=1S/C23H26FN5O4/c24-17-13-14(28-8-10-32-11-9-28)12-16-18(17)23(33-21(16)31)3-6-29(7-4-23)22-26-19-15(20(30)27-22)2-1-5-25-19/h12-13H,1-11H2,(H2,25,26,27,30)
InChIKeyJZGCVTONEHPCLN-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 4-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 4-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 4-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 138594226) is 4-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 4-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 4-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)c2c(F)cc(N3CCOCC3)cc21.
What is the InChIKey of 4-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 JZGCVTONEHPCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O4/c24-17-13-14(28-8-10-32-11-9-28)12-16-18(17)23(33-21(16)31)3-6-29(7-4-23)22-26-19-15(20(30)27-22)2-1-5-25-19/h12-13H,1-11H2,(H2,25,26,27,30).
What are the key properties of 4-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?
4-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 4-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 138594226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).