6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one

C22H15F2N5O4S — CID 53253238

IUPAC6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4c(c3)CC(=O)N4)nc21
InChIInChI=1S/C22H15F2N5O4S/c1-29-20-12(7-18(21(29)31)34(32,33)17-5-2-13(23)9-15(17)24)10-25-22(28-20)26-14-3-4-16-11(6-14)8-19(30)27-16/h2-7,9-10H,8H2,1H3,(H,27,30)(H,25,26,28)
InChIKeyLEQVQBKEEKQFFF-UHFFFAOYSA-N
MW483.46 g/mol
LogP2.68
Rot. Bonds4

About 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one

6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 53253238) has the molecular formula C22H15F2N5O4S and a molecular weight of 483.46 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID53253238
Molecular FormulaC22H15F2N5O4S
Molecular Weight483.46 g/mol
Exact Mass483.08
IUPAC Name6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4c(c3)CC(=O)N4)nc21
InChIInChI=1S/C22H15F2N5O4S/c1-29-20-12(7-18(21(29)31)34(32,33)17-5-2-13(23)9-15(17)24)10-25-22(28-20)26-14-3-4-16-11(6-14)8-19(30)27-16/h2-7,9-10H,8H2,1H3,(H,27,30)(H,25,26,28)
InChIKeyLEQVQBKEEKQFFF-UHFFFAOYSA-N
XLogP2.68
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.46
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 53253238) is 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(S(=O)(=O)c2ccc(F)cc2F)cc2cnc(Nc3ccc4c(c3)CC(=O)N4)nc21.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LEQVQBKEEKQFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N5O4S/c1-29-20-12(7-18(21(29)31)34(32,33)17-5-2-13(23)9-15(17)24)10-25-22(28-20)26-14-3-4-16-11(6-14)8-19(30)27-16/h2-7,9-10H,8H2,1H3,(H,27,30)(H,25,26,28).
What are the key properties of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 483.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53253238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).