N-[[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]oxymethylsulfonyl]acetamide

C24H29FN6O6S — CID 138594158

IUPACN-[[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]oxymethylsulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)COc1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
InChIInChI=1S/C24H29FN6O6S/c1-14(32)28-38(35,36)13-37-15-11-17(25)19-18(12-15)30(3)22(34)24(19)6-9-31(10-7-24)23-26-20-16(21(33)27-23)5-4-8-29(20)2/h11-12H,4-10,13H2,1-3H3,(H,28,32)(H,26,27,33)
InChIKeyRLIGYFHGAXORAF-UHFFFAOYSA-N
MW548.60 g/mol
LogP0.61
Rot. Bonds5

About N-[[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]oxymethylsulfonyl]acetamide

N-[[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]oxymethylsulfonyl]acetamide (PubChem CID 138594158) has the molecular formula C24H29FN6O6S and a molecular weight of 548.60 g/mol. Its IUPAC name is N-[[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]oxymethylsulfonyl]acetamide.

Molecular Properties

Compound NameN-[[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]oxymethylsulfonyl]acetamide
PubChem CID138594158
Molecular FormulaC24H29FN6O6S
Molecular Weight548.60 g/mol
Exact Mass548.19
IUPAC NameN-[[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]oxymethylsulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)COc1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1
InChIInChI=1S/C24H29FN6O6S/c1-14(32)28-38(35,36)13-37-15-11-17(25)19-18(12-15)30(3)22(34)24(19)6-9-31(10-7-24)23-26-20-16(21(33)27-23)5-4-8-29(20)2/h11-12H,4-10,13H2,1-3H3,(H,28,32)(H,26,27,33)
InChIKeyRLIGYFHGAXORAF-UHFFFAOYSA-N
XLogP0.61
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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[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]oxymethylsulfonyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[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]oxymethylsulfonyl]acetamide?
The IUPAC name of N-[[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]oxymethylsulfonyl]acetamide (CID 138594158) is N-[[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]oxymethylsulfonyl]acetamide.
What is the SMILES notation for N-[[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]oxymethylsulfonyl]acetamide?
The canonical SMILES for N-[[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]oxymethylsulfonyl]acetamide is CC(=O)NS(=O)(=O)COc1cc(F)c2c(c1)N(C)C(=O)C21CCN(c2nc3c(c(=O)[nH]2)CCCN3C)CC1.
What is the InChIKey of N-[[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]oxymethylsulfonyl]acetamide?
The InChIKey is RLIGYFHGAXORAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O6S/c1-14(32)28-38(35,36)13-37-15-11-17(25)19-18(12-15)30(3)22(34)24(19)6-9-31(10-7-24)23-26-20-16(21(33)27-23)5-4-8-29(20)2/h11-12H,4-10,13H2,1-3H3,(H,28,32)(H,26,27,33).
What are the key properties of N-[[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]oxymethylsulfonyl]acetamide?
N-[[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]oxymethylsulfonyl]acetamide has a molecular weight of 548.60 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[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]oxymethylsulfonyl]acetamide is sourced from PubChem (CID 138594158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).