6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one

C22H17FN4OS — CID 86623956

IUPAC6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one
SMILESCn1c(=O)c(-c2ccc(F)cc2)cc2c3cc(-c4csc(N)n4)ccc3n(C)c21
InChIInChI=1S/C22H17FN4OS/c1-26-19-8-5-13(18-11-29-22(24)25-18)9-16(19)17-10-15(21(28)27(2)20(17)26)12-3-6-14(23)7-4-12/h3-11H,1-2H3,(H2,24,25)
InChIKeyHRJLOVSQKWNGEW-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.54
Rot. Bonds2

About 6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one

6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one (PubChem CID 86623956) has the molecular formula C22H17FN4OS and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one.

Molecular Properties

Compound Name6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one
PubChem CID86623956
Molecular FormulaC22H17FN4OS
Molecular Weight404.47 g/mol
Exact Mass404.11
IUPAC Name6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one
SMILESCn1c(=O)c(-c2ccc(F)cc2)cc2c3cc(-c4csc(N)n4)ccc3n(C)c21
InChIInChI=1S/C22H17FN4OS/c1-26-19-8-5-13(18-11-29-22(24)25-18)9-16(19)17-10-15(21(28)27(2)20(17)26)12-3-6-14(23)7-4-12/h3-11H,1-2H3,(H2,24,25)
InChIKeyHRJLOVSQKWNGEW-UHFFFAOYSA-N
XLogP4.54
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
The IUPAC name of 6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one (CID 86623956) is 6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one.
What is the SMILES notation for 6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
The canonical SMILES for 6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one is Cn1c(=O)c(-c2ccc(F)cc2)cc2c3cc(-c4csc(N)n4)ccc3n(C)c21.
What is the InChIKey of 6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
The InChIKey is HRJLOVSQKWNGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4OS/c1-26-19-8-5-13(18-11-29-22(24)25-18)9-16(19)17-10-15(21(28)27(2)20(17)26)12-3-6-14(23)7-4-12/h3-11H,1-2H3,(H2,24,25).
What are the key properties of 6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one has a molecular weight of 404.47 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1,3-thiazol-4-yl)-3-(4-fluorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one is sourced from PubChem (CID 86623956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).