3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one

C24H20Cl2N4O — CID 66998234

IUPAC3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one
SMILESCc1cc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c2n3C)nn1C
InChIInChI=1S/C24H20Cl2N4O/c1-13-9-21(27-30(13)4)14-5-8-22-17(10-14)18-12-19(16-7-6-15(25)11-20(16)26)24(31)29(3)23(18)28(22)2/h5-12H,1-4H3
InChIKeyAPTUNYSIOUTZMU-UHFFFAOYSA-N
MW451.36 g/mol
LogP5.71
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one

3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one (PubChem CID 66998234) has the molecular formula C24H20Cl2N4O and a molecular weight of 451.36 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one
PubChem CID66998234
Molecular FormulaC24H20Cl2N4O
Molecular Weight451.36 g/mol
Exact Mass450.10
IUPAC Name3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one
SMILESCc1cc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c2n3C)nn1C
InChIInChI=1S/C24H20Cl2N4O/c1-13-9-21(27-30(13)4)14-5-8-22-17(10-14)18-12-19(16-7-6-15(25)11-20(16)26)24(31)29(3)23(18)28(22)2/h5-12H,1-4H3
InChIKeyAPTUNYSIOUTZMU-UHFFFAOYSA-N
XLogP5.71
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.36
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one (CID 66998234) is 3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one is Cc1cc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4Cl)c(=O)n(C)c2n3C)nn1C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
The InChIKey is APTUNYSIOUTZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O/c1-13-9-21(27-30(13)4)14-5-8-22-17(10-14)18-12-19(16-7-6-15(25)11-20(16)26)24(31)29(3)23(18)28(22)2/h5-12H,1-4H3.
What are the key properties of 3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one has a molecular weight of 451.36 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-6-(1,5-dimethylpyrazol-3-yl)-1,9-dimethylpyrido[2,3-b]indol-2-one is sourced from PubChem (CID 66998234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).