N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide

C23H23ClN4O2 — CID 20892227

IUPACN-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
SMILESCCC(C)NC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(Cl)cc3)c2c1=O
InChIInChI=1S/C23H23ClN4O2/c1-3-15(2)26-21(29)14-28-23(30)22-19(12-25-28)18-6-4-5-7-20(18)27(22)13-16-8-10-17(24)11-9-16/h4-12,15H,3,13-14H2,1-2H3,(H,26,29)
InChIKeyVZCAQHQCQKMWFO-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.97
Rot. Bonds6

About N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide

N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide (PubChem CID 20892227) has the molecular formula C23H23ClN4O2 and a molecular weight of 422.92 g/mol. Its IUPAC name is N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
PubChem CID20892227
Molecular FormulaC23H23ClN4O2
Molecular Weight422.92 g/mol
Exact Mass422.15
IUPAC NameN-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
SMILESCCC(C)NC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(Cl)cc3)c2c1=O
InChIInChI=1S/C23H23ClN4O2/c1-3-15(2)26-21(29)14-28-23(30)22-19(12-25-28)18-6-4-5-7-20(18)27(22)13-16-8-10-17(24)11-9-16/h4-12,15H,3,13-14H2,1-2H3,(H,26,29)
InChIKeyVZCAQHQCQKMWFO-UHFFFAOYSA-N
XLogP3.97
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20892242
2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 20892238
2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-methylacetamide
CID 20892279
N-[(2S)-butan-2-yl]-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 95059156
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 20891977
N-benzyl-2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892257
N-[(4-chlorophenyl)methyl]-2-[5-[(2,5-dimethylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892046
methyl 2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetate
CID 6623251
N-benzyl-2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892126
2-[5-[(4-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-phenylpropyl)acetamide
CID 20892150
2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-cyclopentylacetamide
CID 20892259
2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-propan-2-ylacetamide
CID 20891863

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide (CID 20892227) is N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide is CCC(C)NC(=O)Cn1ncc2c3ccccc3n(Cc3ccc(Cl)cc3)c2c1=O.
What is the InChIKey of N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide?
The InChIKey is VZCAQHQCQKMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2/c1-3-15(2)26-21(29)14-28-23(30)22-19(12-25-28)18-6-4-5-7-20(18)27(22)13-16-8-10-17(24)11-9-16/h4-12,15H,3,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide?
N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide has a molecular weight of 422.92 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide is sourced from PubChem (CID 20892227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).