2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

C24H26N6O2 — CID 135551045

IUPAC2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc2[nH]c3c(=O)n(CC(=O)Nc4ccccc4N4CCN(C)CC4)ncc3c2c1
InChIInChI=1S/C24H26N6O2/c1-16-7-8-19-17(13-16)18-14-25-30(24(32)23(18)27-19)15-22(31)26-20-5-3-4-6-21(20)29-11-9-28(2)10-12-29/h3-8,13-14,27H,9-12,15H2,1-2H3,(H,26,31)
InChIKeyMSIBZQWOCQCDLD-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.58
Rot. Bonds4

About 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide

2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (PubChem CID 135551045) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
PubChem CID135551045
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
SMILESCc1ccc2[nH]c3c(=O)n(CC(=O)Nc4ccccc4N4CCN(C)CC4)ncc3c2c1
InChIInChI=1S/C24H26N6O2/c1-16-7-8-19-17(13-16)18-14-25-30(24(32)23(18)27-19)15-22(31)26-20-5-3-4-6-21(20)29-11-9-28(2)10-12-29/h3-8,13-14,27H,9-12,15H2,1-2H3,(H,26,31)
InChIKeyMSIBZQWOCQCDLD-UHFFFAOYSA-N
XLogP2.58
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550947
N-(2-ethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550982
N-(2-bromo-4-methylphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550937
N-(4-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550934
N-(2,4-dimethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550942
8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one
CID 135550957
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 135410471
N-(3,4-dimethoxyphenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550944
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 135551035
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 136865046
N-(3-chloro-2-methylphenyl)-2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135833616
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one
CID 135550956

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide (CID 135551045) is 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is Cc1ccc2[nH]c3c(=O)n(CC(=O)Nc4ccccc4N4CCN(C)CC4)ncc3c2c1.
What is the InChIKey of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
The InChIKey is MSIBZQWOCQCDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-16-7-8-19-17(13-16)18-14-25-30(24(32)23(18)27-19)15-22(31)26-20-5-3-4-6-21(20)29-11-9-28(2)10-12-29/h3-8,13-14,27H,9-12,15H2,1-2H3,(H,26,31).
What are the key properties of 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide?
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide has a molecular weight of 430.51 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide is sourced from PubChem (CID 135551045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).