2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one

C23H19N5O3S — CID 53252567

IUPAC2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(S(=O)(=O)c2cc3cnc(Nc4ccc5[nH]ccc5c4)nc3n(C)c2=O)cc1
InChIInChI=1S/C23H19N5O3S/c1-14-3-6-18(7-4-14)32(30,31)20-12-16-13-25-23(27-21(16)28(2)22(20)29)26-17-5-8-19-15(11-17)9-10-24-19/h3-13,24H,1-2H3,(H,25,26,27)
InChIKeyOBJHBFRLGFYXOG-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.69
Rot. Bonds4

About 2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one

2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 53252567) has the molecular formula C23H19N5O3S and a molecular weight of 445.50 g/mol. Its IUPAC name is 2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one
PubChem CID53252567
Molecular FormulaC23H19N5O3S
Molecular Weight445.50 g/mol
Exact Mass445.12
IUPAC Name2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(S(=O)(=O)c2cc3cnc(Nc4ccc5[nH]ccc5c4)nc3n(C)c2=O)cc1
InChIInChI=1S/C23H19N5O3S/c1-14-3-6-18(7-4-14)32(30,31)20-12-16-13-25-23(27-21(16)28(2)22(20)29)26-17-5-8-19-15(11-17)9-10-24-19/h3-13,24H,1-2H3,(H,25,26,27)
InChIKeyOBJHBFRLGFYXOG-UHFFFAOYSA-N
XLogP3.69
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one (CID 53252567) is 2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one is Cc1ccc(S(=O)(=O)c2cc3cnc(Nc4ccc5[nH]ccc5c4)nc3n(C)c2=O)cc1.
What is the InChIKey of 2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OBJHBFRLGFYXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3S/c1-14-3-6-18(7-4-14)32(30,31)20-12-16-13-25-23(27-21(16)28(2)22(20)29)26-17-5-8-19-15(11-17)9-10-24-19/h3-13,24H,1-2H3,(H,25,26,27).
What are the key properties of 2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one?
2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 445.50 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-ylamino)-8-methyl-6-(4-methylphenyl)sulfonylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53252567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).