2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide

C24H28FN5O5 — CID 138594221

IUPAC2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(F)c2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
InChIInChI=1S/C24H28FN5O5/c1-28(2)18(31)13-34-14-11-16-19(17(25)12-14)24(35-22(16)33)6-9-30(10-7-24)23-26-20-15(21(32)27-23)5-4-8-29(20)3/h11-12H,4-10,13H2,1-3H3,(H,26,27,32)
InChIKeyRNJOYEYIGNNATJ-UHFFFAOYSA-N
MW485.52 g/mol
LogP1.42
Rot. Bonds4

About 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide

2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide (PubChem CID 138594221) has the molecular formula C24H28FN5O5 and a molecular weight of 485.52 g/mol. Its IUPAC name is 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide
PubChem CID138594221
Molecular FormulaC24H28FN5O5
Molecular Weight485.52 g/mol
Exact Mass485.21
IUPAC Name2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1cc(F)c2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
InChIInChI=1S/C24H28FN5O5/c1-28(2)18(31)13-34-14-11-16-19(17(25)12-14)24(35-22(16)33)6-9-30(10-7-24)23-26-20-15(21(32)27-23)5-4-8-29(20)3/h11-12H,4-10,13H2,1-3H3,(H,26,27,32)
InChIKeyRNJOYEYIGNNATJ-UHFFFAOYSA-N
XLogP1.42
TPSA108.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide with MolForge

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Related Compounds

4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-[4-(4-methylpiperazin-1-yl)phenyl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594575
2-chloro-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;4-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-(3-pyrrolidin-1-ylpropyl)spiro[2-benzofuran-3,4'-piperidine]-1-one;4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 158776000
2-[4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-2-oxospiro[indole-3,4'-piperidine]-6-yl]oxy-N-methylsulfonylacetamide
CID 138594279
6-[2-(dimethylamino)ethoxy]-4-fluoro-1-(2-hydroxyethyl)-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594987
2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-8-methyl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one
CID 138594235
2-[4-[4-methyl-1-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)piperidin-4-yl]-3-propylphenoxy]acetic acid
CID 138614372
4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 138594733
4-[4-fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-2-oxospiro[indole-3,4'-piperidine]-6-yl]piperazine-1-carboxamide
CID 138594208
4-chloro-6-[2-(dimethylamino)ethoxy]-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594455
4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,1'-cyclohexane]-1-one
CID 158148421
6-hydroxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;6-methoxy-1'-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 158166051
8-methyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;dihydrochloride
CID 137045866

Frequently Asked Questions

What is the IUPAC name of 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide?
The IUPAC name of 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide (CID 138594221) is 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide?
The canonical SMILES for 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide is CN(C)C(=O)COc1cc(F)c2c(c1)C(=O)OC21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1.
What is the InChIKey of 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide?
The InChIKey is RNJOYEYIGNNATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O5/c1-28(2)18(31)13-34-14-11-16-19(17(25)12-14)24(35-22(16)33)6-9-30(10-7-24)23-26-20-15(21(32)27-23)5-4-8-29(20)3/h11-12H,4-10,13H2,1-3H3,(H,26,27,32).
What are the key properties of 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide?
2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide has a molecular weight of 485.52 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-fluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-3-oxospiro[2-benzofuran-1,4'-piperidine]-5-yl]oxy-N,N-dimethylacetamide is sourced from PubChem (CID 138594221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).