6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one

C21H15FN6O3S — CID 53253242

IUPAC6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2)cc2cnc(Nc3cnc4[nH]ccc4c3)nc21
InChIInChI=1S/C21H15FN6O3S/c1-28-19-13(9-17(20(28)29)32(30,31)16-4-2-14(22)3-5-16)10-25-21(27-19)26-15-8-12-6-7-23-18(12)24-11-15/h2-11H,1H3,(H,23,24)(H,25,26,27)
InChIKeyUEYJGBDVLLHXOR-UHFFFAOYSA-N
MW450.46 g/mol
LogP2.92
Rot. Bonds4

About 6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one

6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 53253242) has the molecular formula C21H15FN6O3S and a molecular weight of 450.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID53253242
Molecular FormulaC21H15FN6O3S
Molecular Weight450.46 g/mol
Exact Mass450.09
IUPAC Name6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(S(=O)(=O)c2ccc(F)cc2)cc2cnc(Nc3cnc4[nH]ccc4c3)nc21
InChIInChI=1S/C21H15FN6O3S/c1-28-19-13(9-17(20(28)29)32(30,31)16-4-2-14(22)3-5-16)10-25-21(27-19)26-15-8-12-6-7-23-18(12)24-11-15/h2-11H,1H3,(H,23,24)(H,25,26,27)
InChIKeyUEYJGBDVLLHXOR-UHFFFAOYSA-N
XLogP2.92
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one (CID 53253242) is 6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(S(=O)(=O)c2ccc(F)cc2)cc2cnc(Nc3cnc4[nH]ccc4c3)nc21.
What is the InChIKey of 6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UEYJGBDVLLHXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6O3S/c1-28-19-13(9-17(20(28)29)32(30,31)16-4-2-14(22)3-5-16)10-25-21(27-19)26-15-8-12-6-7-23-18(12)24-11-15/h2-11H,1H3,(H,23,24)(H,25,26,27).
What are the key properties of 6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 450.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfonyl-8-methyl-2-(1H-pyrrolo[2,3-b]pyridin-5-ylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53253242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).