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

C23H17F2N5O3S — CID 127042194

IUPAC6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1ccc2cc(Nc3ncc4cc(S(=O)(=O)c5ccc(F)cc5F)c(=O)n(C)c4n3)ccc21
InChIInChI=1S/C23H17F2N5O3S/c1-29-8-7-13-9-16(4-5-18(13)29)27-23-26-12-14-10-20(22(31)30(2)21(14)28-23)34(32,33)19-6-3-15(24)11-17(19)25/h3-12H,1-2H3,(H,26,27,28)
InChIKeyQCHNEAMYVTXVDA-UHFFFAOYSA-N
MW481.48 g/mol
LogP3.67
Rot. Bonds4

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

6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 127042194) has the molecular formula C23H17F2N5O3S and a molecular weight of 481.48 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID127042194
Molecular FormulaC23H17F2N5O3S
Molecular Weight481.48 g/mol
Exact Mass481.10
IUPAC Name6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCn1ccc2cc(Nc3ncc4cc(S(=O)(=O)c5ccc(F)cc5F)c(=O)n(C)c4n3)ccc21
InChIInChI=1S/C23H17F2N5O3S/c1-29-8-7-13-9-16(4-5-18(13)29)27-23-26-12-14-10-20(22(31)30(2)21(14)28-23)34(32,33)19-6-3-15(24)11-17(19)25/h3-12H,1-2H3,(H,26,27,28)
InChIKeyQCHNEAMYVTXVDA-UHFFFAOYSA-N
XLogP3.67
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
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-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 127042194) is 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one is Cn1ccc2cc(Nc3ncc4cc(S(=O)(=O)c5ccc(F)cc5F)c(=O)n(C)c4n3)ccc21.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is QCHNEAMYVTXVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O3S/c1-29-8-7-13-9-16(4-5-18(13)29)27-23-26-12-14-10-20(22(31)30(2)21(14)28-23)34(32,33)19-6-3-15(24)11-17(19)25/h3-12H,1-2H3,(H,26,27,28).
What are the key properties of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 481.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 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-[(1-methylindol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127042194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).