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

C23H17F2N5O3S — CID 127042195

IUPAC6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc2cc(Nc3ncc4cc(S(=O)(=O)c5ccc(F)cc5F)c(=O)n(C)c4n3)ccc2[nH]1
InChIInChI=1S/C23H17F2N5O3S/c1-12-7-13-8-16(4-5-18(13)27-12)28-23-26-11-14-9-20(22(31)30(2)21(14)29-23)34(32,33)19-6-3-15(24)10-17(19)25/h3-11,27H,1-2H3,(H,26,28,29)
InChIKeyJQCUZVFIJCNUSI-UHFFFAOYSA-N
MW481.48 g/mol
LogP3.97
Rot. Bonds4

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

6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 127042195) 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-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
PubChem CID127042195
Molecular FormulaC23H17F2N5O3S
Molecular Weight481.48 g/mol
Exact Mass481.10
IUPAC Name6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc2cc(Nc3ncc4cc(S(=O)(=O)c5ccc(F)cc5F)c(=O)n(C)c4n3)ccc2[nH]1
InChIInChI=1S/C23H17F2N5O3S/c1-12-7-13-8-16(4-5-18(13)27-12)28-23-26-11-14-9-20(22(31)30(2)21(14)29-23)34(32,33)19-6-3-15(24)10-17(19)25/h3-11,27H,1-2H3,(H,26,28,29)
InChIKeyJQCUZVFIJCNUSI-UHFFFAOYSA-N
XLogP3.97
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(benzenesulfonyl)-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 53252571
6-(2,4-difluorophenoxy)-8-methyl-2-(4-piperidin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 127040992
6-(2,4-difluoroanilino)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23434539
4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943761
5-[2-(2,4-difluorophenyl)sulfonylethenyl]-2-N-(1H-indazol-5-yl)-4-N-methylpyrimidine-2,4-diamine
CID 121301806
2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25104267
N-(4-fluoro-3-methylphenyl)-7-(3-fluorophenyl)pyrrolo[2,3-d]pyrimidin-2-amine
CID 141245795
8-methyl-6-[(4-methylphenyl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 70934469
2-(benzylamino)-6-[(4-fluorophenyl)methyl]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 23434569
1-cyclopentyl-2-ethyl-4-methyl-7-[(2-methyl-1H-indol-5-yl)amino]pyrimido[5,4-e][1,2,4]triazin-3-one
CID 143652675
6-(2,6-difluorophenyl)-8-methyl-2-[[6-(2-piperazin-1-ylethoxy)-3-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 169188325
6-benzyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 70934472

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one (CID 127042195) is 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-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-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one is Cc1cc2cc(Nc3ncc4cc(S(=O)(=O)c5ccc(F)cc5F)c(=O)n(C)c4n3)ccc2[nH]1.
What is the InChIKey of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JQCUZVFIJCNUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O3S/c1-12-7-13-8-16(4-5-18(13)27-12)28-23-26-11-14-9-20(22(31)30(2)21(14)29-23)34(32,33)19-6-3-15(24)10-17(19)25/h3-11,27H,1-2H3,(H,26,28,29).
What are the key properties of 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one?
6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 481.48 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)sulfonyl-8-methyl-2-[(2-methyl-1H-indol-5-yl)amino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 127042195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).