3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one

C23H22ClN5O2 — CID 135550956

IUPAC3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one
SMILESCc1ccc2[nH]c3c(=O)n(CC(=O)N4CCN(c5cccc(Cl)c5)CC4)ncc3c2c1
InChIInChI=1S/C23H22ClN5O2/c1-15-5-6-20-18(11-15)19-13-25-29(23(31)22(19)26-20)14-21(30)28-9-7-27(8-10-28)17-4-2-3-16(24)12-17/h2-6,11-13,26H,7-10,14H2,1H3
InChIKeyPYAYCKIQTHOIQK-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.19
Rot. Bonds3

About 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one (PubChem CID 135550956) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one
PubChem CID135550956
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one
SMILESCc1ccc2[nH]c3c(=O)n(CC(=O)N4CCN(c5cccc(Cl)c5)CC4)ncc3c2c1
InChIInChI=1S/C23H22ClN5O2/c1-15-5-6-20-18(11-15)19-13-25-29(23(31)22(19)26-20)14-21(30)28-9-7-27(8-10-28)17-4-2-3-16(24)12-17/h2-6,11-13,26H,7-10,14H2,1H3
InChIKeyPYAYCKIQTHOIQK-UHFFFAOYSA-N
XLogP3.19
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one with MolForge

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Related Compounds

8-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5H-pyridazino[4,5-b]indol-4-one
CID 135550957
3-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5H-pyridazino[4,5-b]indol-4-one
CID 136914669
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 135551045
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 27009750
N-(4-fluorophenyl)-2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)acetamide
CID 135550934
2-[4-chloro-3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 142843237
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 43001987
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)ethanone
CID 56528726
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5H-pyrimido[5,4-b]indol-4-one
CID 45499850
2-(8-methyl-4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 135551035
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one (CID 135550956) is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one is Cc1ccc2[nH]c3c(=O)n(CC(=O)N4CCN(c5cccc(Cl)c5)CC4)ncc3c2c1.
What is the InChIKey of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one?
The InChIKey is PYAYCKIQTHOIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c1-15-5-6-20-18(11-15)19-13-25-29(23(31)22(19)26-20)14-21(30)28-9-7-27(8-10-28)17-4-2-3-16(24)12-17/h2-6,11-13,26H,7-10,14H2,1H3.
What are the key properties of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one?
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one has a molecular weight of 435.92 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methyl-5H-pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 135550956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).