4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one

C24H27F2N5O3 — CID 155561438

IUPAC4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(CC1COC1)c1cc(F)cc(F)c13)[nH]c2=O
InChIInChI=1S/C24H27F2N5O3/c1-29-6-2-3-16-20(29)27-23(28-21(16)32)30-7-4-24(5-8-30)19-17(26)9-15(25)10-18(19)31(22(24)33)11-14-12-34-13-14/h9-10,14H,2-8,11-13H2,1H3,(H,27,28,32)
InChIKeyBGISDNKMCUOWSJ-UHFFFAOYSA-N
MW471.51 g/mol
LogP1.96
Rot. Bonds3

About 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one

4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 155561438) has the molecular formula C24H27F2N5O3 and a molecular weight of 471.51 g/mol. Its IUPAC name is 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID155561438
Molecular FormulaC24H27F2N5O3
Molecular Weight471.51 g/mol
Exact Mass471.21
IUPAC Name4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one
SMILESCN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(CC1COC1)c1cc(F)cc(F)c13)[nH]c2=O
InChIInChI=1S/C24H27F2N5O3/c1-29-6-2-3-16-20(29)27-23(28-21(16)32)30-7-4-24(5-8-30)19-17(26)9-15(25)10-18(19)31(22(24)33)11-14-12-34-13-14/h9-10,14H,2-8,11-13H2,1H3,(H,27,28,32)
InChIKeyBGISDNKMCUOWSJ-UHFFFAOYSA-N
XLogP1.96
TPSA81.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one with MolForge

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Related Compounds

6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-fluoro-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 138594194
2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 137701512
6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-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 138594172
2-[4,6-Difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-2-oxospiro[indole-3,4'-piperidine]-1-yl]acetonitrile
CID 138594198
4-Fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-(4-methylpiperazin-1-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594570
4,6-difluoro-1-(2-hydroxyethyl)-1'-(8-methyl-4-oxo-3H-quinazolin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 138594627
4,6-Difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(methylsulfonylmethyl)spiro[indole-3,4'-piperidine]-2-one
CID 155515281
4-Fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-morpholin-4-ylspiro[indole-3,4'-piperidine]-2-one
CID 155518184
1-(2,3-Dihydroxypropyl)-4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 155529963
4,6-Difluoro-1-(2-methoxyethyl)-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 155532179
4-Fluoro-1-methyl-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-6-piperidin-1-ylspiro[indole-3,4'-piperidine]-2-one
CID 155532717
4,6-Difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(2,2,2-trifluoroethyl)spiro[indole-3,4'-piperidine]-2-one
CID 155534087

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one (CID 155561438) is 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is CN1CCCc2c1nc(N1CCC3(CC1)C(=O)N(CC1COC1)c1cc(F)cc(F)c13)[nH]c2=O.
What is the InChIKey of 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is BGISDNKMCUOWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N5O3/c1-29-6-2-3-16-20(29)27-23(28-21(16)32)30-7-4-24(5-8-30)19-17(26)9-15(25)10-18(19)31(22(24)33)11-14-12-34-13-14/h9-10,14H,2-8,11-13H2,1H3,(H,27,28,32).
What are the key properties of 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one?
4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 471.51 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-1'-(8-methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-2-yl)-1-(oxetan-3-ylmethyl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 155561438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).