2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one

C23H19N5O4S — CID 53252617

IUPAC2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(S(=O)(=O)c2cc3cnc(Nc4ccc5[nH]ccc5c4)nc3n(C)c2=O)cc1
InChIInChI=1S/C23H19N5O4S/c1-28-21-15(12-20(22(28)29)33(30,31)18-6-4-17(32-2)5-7-18)13-25-23(27-21)26-16-3-8-19-14(11-16)9-10-24-19/h3-13,24H,1-2H3,(H,25,26,27)
InChIKeyVAKARYFWENOUDM-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.39
Rot. Bonds5

About 2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one

2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 53252617) has the molecular formula C23H19N5O4S and a molecular weight of 461.50 g/mol. Its IUPAC name is 2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID53252617
Molecular FormulaC23H19N5O4S
Molecular Weight461.50 g/mol
Exact Mass461.12
IUPAC Name2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCOc1ccc(S(=O)(=O)c2cc3cnc(Nc4ccc5[nH]ccc5c4)nc3n(C)c2=O)cc1
InChIInChI=1S/C23H19N5O4S/c1-28-21-15(12-20(22(28)29)33(30,31)18-6-4-17(32-2)5-7-18)13-25-23(27-21)26-16-3-8-19-14(11-16)9-10-24-19/h3-13,24H,1-2H3,(H,25,26,27)
InChIKeyVAKARYFWENOUDM-UHFFFAOYSA-N
XLogP3.39
TPSA118.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 53252617) is 2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one is COc1ccc(S(=O)(=O)c2cc3cnc(Nc4ccc5[nH]ccc5c4)nc3n(C)c2=O)cc1.
What is the InChIKey of 2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VAKARYFWENOUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O4S/c1-28-21-15(12-20(22(28)29)33(30,31)18-6-4-17(32-2)5-7-18)13-25-23(27-21)26-16-3-8-19-14(11-16)9-10-24-19/h3-13,24H,1-2H3,(H,25,26,27).
What are the key properties of 2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one?
2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 461.50 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-5-ylamino)-6-(4-methoxyphenyl)sulfonyl-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53252617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).