6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C24H30FN5O4 — CID 138594453

IUPAC6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCN(C)CCOc1cc(F)c2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
InChIInChI=1S/C24H30FN5O4/c1-28(2)11-12-33-15-13-17-19(18(25)14-15)24(34-22(17)32)6-9-30(10-7-24)23-26-20-16(21(31)27-23)5-4-8-29(20)3/h13-14H,4-12H2,1-3H3,(H,26,27,31)
InChIKeyOJKVNMCMBNRTSD-UHFFFAOYSA-N
MW471.53 g/mol
LogP1.90
Rot. Bonds5

About 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one

6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 138594453) has the molecular formula C24H30FN5O4 and a molecular weight of 471.53 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID138594453
Molecular FormulaC24H30FN5O4
Molecular Weight471.53 g/mol
Exact Mass471.23
IUPAC Name6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCN(C)CCOc1cc(F)c2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
InChIInChI=1S/C24H30FN5O4/c1-28(2)11-12-33-15-13-17-19(18(25)14-15)24(34-22(17)32)6-9-30(10-7-24)23-26-20-16(21(31)27-23)5-4-8-29(20)3/h13-14H,4-12H2,1-3H3,(H,26,27,31)
InChIKeyOJKVNMCMBNRTSD-UHFFFAOYSA-N
XLogP1.90
TPSA91.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.53
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[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 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 138594453) is 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is CN(C)CCOc1cc(F)c2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is OJKVNMCMBNRTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O4/c1-28(2)11-12-33-15-13-17-19(18(25)14-15)24(34-22(17)32)6-9-30(10-7-24)23-26-20-16(21(31)27-23)5-4-8-29(20)3/h13-14H,4-12H2,1-3H3,(H,26,27,31).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 471.53 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 138594453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).