3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one

C23H18Cl2N4O — CID 66997918

IUPAC3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one
SMILESCc1cn[nH]c1-c1ccc2c(c1)c1cc(-c3ccc(Cl)cc3Cl)c(=O)n(C)c1n2C
InChIInChI=1S/C23H18Cl2N4O/c1-12-11-26-27-21(12)13-4-7-20-16(8-13)17-10-18(15-6-5-14(24)9-19(15)25)23(30)29(3)22(17)28(20)2/h4-11H,1-3H3,(H,26,27)
InChIKeyWGSQXWPZRLXXNY-UHFFFAOYSA-N
MW437.33 g/mol
LogP5.70
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one

3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one (PubChem CID 66997918) has the molecular formula C23H18Cl2N4O and a molecular weight of 437.33 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one
PubChem CID66997918
Molecular FormulaC23H18Cl2N4O
Molecular Weight437.33 g/mol
Exact Mass436.09
IUPAC Name3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one
SMILESCc1cn[nH]c1-c1ccc2c(c1)c1cc(-c3ccc(Cl)cc3Cl)c(=O)n(C)c1n2C
InChIInChI=1S/C23H18Cl2N4O/c1-12-11-26-27-21(12)13-4-7-20-16(8-13)17-10-18(15-6-5-14(24)9-19(15)25)23(30)29(3)22(17)28(20)2/h4-11H,1-3H3,(H,26,27)
InChIKeyWGSQXWPZRLXXNY-UHFFFAOYSA-N
XLogP5.70
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one (CID 66997918) is 3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one is Cc1cn[nH]c1-c1ccc2c(c1)c1cc(-c3ccc(Cl)cc3Cl)c(=O)n(C)c1n2C.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one?
The InChIKey is WGSQXWPZRLXXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O/c1-12-11-26-27-21(12)13-4-7-20-16(8-13)17-10-18(15-6-5-14(24)9-19(15)25)23(30)29(3)22(17)28(20)2/h4-11H,1-3H3,(H,26,27).
What are the key properties of 3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one?
3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one has a molecular weight of 437.33 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1,9-dimethyl-6-(4-methyl-1H-pyrazol-5-yl)pyrido[2,3-b]indol-2-one is sourced from PubChem (CID 66997918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).