7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one

C22H17Cl3N4O2 — CID 18425201

IUPAC7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one
SMILESCn1c2cc(Cl)ccc2c2c(C(=O)N3CCCC3)nn(-c3cc(Cl)cc(Cl)c3)c(=O)c21
InChIInChI=1S/C22H17Cl3N4O2/c1-27-17-11-12(23)4-5-16(17)18-19(21(30)28-6-2-3-7-28)26-29(22(31)20(18)27)15-9-13(24)8-14(25)10-15/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyYHGSTIFHWIGULP-UHFFFAOYSA-N
MW475.76 g/mol
LogP5.07
Rot. Bonds2

About 7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one

7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one (PubChem CID 18425201) has the molecular formula C22H17Cl3N4O2 and a molecular weight of 475.76 g/mol. Its IUPAC name is 7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one
PubChem CID18425201
Molecular FormulaC22H17Cl3N4O2
Molecular Weight475.76 g/mol
Exact Mass474.04
IUPAC Name7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one
SMILESCn1c2cc(Cl)ccc2c2c(C(=O)N3CCCC3)nn(-c3cc(Cl)cc(Cl)c3)c(=O)c21
InChIInChI=1S/C22H17Cl3N4O2/c1-27-17-11-12(23)4-5-16(17)18-19(21(30)28-6-2-3-7-28)26-29(22(31)20(18)27)15-9-13(24)8-14(25)10-15/h4-5,8-11H,2-3,6-7H2,1H3
InChIKeyYHGSTIFHWIGULP-UHFFFAOYSA-N
XLogP5.07
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.76
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 10227077
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7-chloro-5-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pyridin-4-ylpyridazino[4,5-b]indol-4-one
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CID 57216606
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3-(3-chloro-4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 46254771
2-(7-chloro-5-methyl-4-oxo-3-pyridin-4-ylpyridazino[4,5-b]indol-1-yl)-N,N-dimethylacetamide;hydrochloride
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CID 158867076
2-[7-chloro-3-(4-fluorophenyl)-5-methyl-4-oxopyridazino[4,5-b]indol-1-yl]-N,N-dimethylacetamide
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one?
The IUPAC name of 7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one (CID 18425201) is 7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one is Cn1c2cc(Cl)ccc2c2c(C(=O)N3CCCC3)nn(-c3cc(Cl)cc(Cl)c3)c(=O)c21.
What is the InChIKey of 7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one?
The InChIKey is YHGSTIFHWIGULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl3N4O2/c1-27-17-11-12(23)4-5-16(17)18-19(21(30)28-6-2-3-7-28)26-29(22(31)20(18)27)15-9-13(24)8-14(25)10-15/h4-5,8-11H,2-3,6-7H2,1H3.
What are the key properties of 7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one?
7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one has a molecular weight of 475.76 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 18425201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).