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

C24H29FN6O6S — CID 138594279

IUPAC2-[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
SMILESCN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(OCC(=O)NS(C)(=O)=O)cc(F)c13)[nH]c2=O
InChIInChI=1S/C24H29FN6O6S/c1-29-8-4-5-15-20(29)26-23(27-21(15)33)31-9-6-24(7-10-31)19-16(25)11-14(12-17(19)30(2)22(24)34)37-13-18(32)28-38(3,35)36/h11-12H,4-10,13H2,1-3H3,(H,28,32)(H,26,27,33)
InChIKeyHJKALMQZYNCPBU-UHFFFAOYSA-N
MW548.60 g/mol
LogP0.26
Rot. Bonds5

About 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

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 (PubChem CID 138594279) has the molecular formula C24H29FN6O6S and a molecular weight of 548.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID138594279
Molecular FormulaC24H29FN6O6S
Molecular Weight548.60 g/mol
Exact Mass548.19
IUPAC Name2-[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
SMILESCN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(OCC(=O)NS(C)(=O)=O)cc(F)c13)[nH]c2=O
InChIInChI=1S/C24H29FN6O6S/c1-29-8-4-5-15-20(29)26-23(27-21(15)33)31-9-6-24(7-10-31)19-16(25)11-14(12-17(19)30(2)22(24)34)37-13-18(32)28-38(3,35)36/h11-12H,4-10,13H2,1-3H3,(H,28,32)(H,26,27,33)
InChIKeyHJKALMQZYNCPBU-UHFFFAOYSA-N
XLogP0.26
TPSA145.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.60
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
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-chloro-1-(2-hydroxy-2-methylpropyl)-7-methoxy-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594629
2-[[15-fluoro-4-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-7-oxo-4-azabicyclo[9.4.0]pentadeca-1(15),11,13-trien-12-yl]oxy]acetic acid
CID 138614081
8-methyl-2-piperazin-1-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 136954061
tert-butyl 4-fluoro-6-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 138594527
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(C)c1cc(OCC(=O)NS(C)(=O)=O)cc(F)c13)[nH]c2=O.
What is the InChIKey of 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?
The InChIKey is HJKALMQZYNCPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O6S/c1-29-8-4-5-15-20(29)26-23(27-21(15)33)31-9-6-24(7-10-31)19-16(25)11-14(12-17(19)30(2)22(24)34)37-13-18(32)28-38(3,35)36/h11-12H,4-10,13H2,1-3H3,(H,28,32)(H,26,27,33).
What are the key properties of 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?
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 has a molecular weight of 548.60 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138594279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).