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

C23H21Cl2N5O2 — CID 10227077

IUPAC7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
SMILESCN1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c2c2ccc(Cl)cc2n3C)CC1
InChIInChI=1S/C23H21Cl2N5O2/c1-27-9-11-29(12-10-27)22(31)20-19-17-8-5-15(25)13-18(17)28(2)21(19)23(32)30(26-20)16-6-3-14(24)4-7-16/h3-8,13H,9-12H2,1-2H3
InChIKeySXIZMHIVNWHNCK-UHFFFAOYSA-N
MW470.36 g/mol
LogP3.57
Rot. Bonds2

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

7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one (PubChem CID 10227077) has the molecular formula C23H21Cl2N5O2 and a molecular weight of 470.36 g/mol. Its IUPAC name is 7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
PubChem CID10227077
Molecular FormulaC23H21Cl2N5O2
Molecular Weight470.36 g/mol
Exact Mass469.11
IUPAC Name7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
SMILESCN1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c2c2ccc(Cl)cc2n3C)CC1
InChIInChI=1S/C23H21Cl2N5O2/c1-27-9-11-29(12-10-27)22(31)20-19-17-8-5-15(25)13-18(17)28(2)21(19)23(32)30(26-20)16-6-3-14(24)4-7-16/h3-8,13H,9-12H2,1-2H3
InChIKeySXIZMHIVNWHNCK-UHFFFAOYSA-N
XLogP3.57
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 18425201
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7-chloro-5-methyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-pyridin-3-ylpyridazino[4,5-b]indol-4-one
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8-chloro-5-methyl-4-oxo-3-phenylpyridazino[4,5-b]indole-1-carboxylic acid
CID 57216606
5-methyl-3-(4-methylphenyl)-1-(4-phenylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20856106
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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
3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20858123
2-[7-chloro-3-(4-fluorophenyl)-5-methyl-4-oxopyridazino[4,5-b]indol-1-yl]-N,N-dimethylacetamide
CID 122439517
1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 20856060
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one?
The IUPAC name of 7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one (CID 10227077) is 7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one?
The canonical SMILES for 7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one is CN1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)c(=O)c3c2c2ccc(Cl)cc2n3C)CC1.
What is the InChIKey of 7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one?
The InChIKey is SXIZMHIVNWHNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2/c1-27-9-11-29(12-10-27)22(31)20-19-17-8-5-15(25)13-18(17)28(2)21(19)23(32)30(26-20)16-6-3-14(24)4-7-16/h3-8,13H,9-12H2,1-2H3.
What are the key properties of 7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one?
7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one has a molecular weight of 470.36 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 10227077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).