3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one

C25H26ClN5O3 — CID 20858120

IUPAC3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one
SMILESCCN1CCN(C(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3c2c2ccccc2n3C)CC1
InChIInChI=1S/C25H26ClN5O3/c1-4-29-11-13-30(14-12-29)24(32)22-21-17-7-5-6-8-19(17)28(2)23(21)25(33)31(27-22)16-9-10-20(34-3)18(26)15-16/h5-10,15H,4,11-14H2,1-3H3
InChIKeyVBDOJFYQONOIQU-UHFFFAOYSA-N
MW479.97 g/mol
LogP3.32
Rot. Bonds4

About 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one

3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one (PubChem CID 20858120) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one
PubChem CID20858120
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC Name3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one
SMILESCCN1CCN(C(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3c2c2ccccc2n3C)CC1
InChIInChI=1S/C25H26ClN5O3/c1-4-29-11-13-30(14-12-29)24(32)22-21-17-7-5-6-8-19(17)28(2)23(21)25(33)31(27-22)16-9-10-20(34-3)18(26)15-16/h5-10,15H,4,11-14H2,1-3H3
InChIKeyVBDOJFYQONOIQU-UHFFFAOYSA-N
XLogP3.32
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-4-methoxyphenyl)-5-methyl-1-(morpholine-4-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20858123
3-(3-chloro-4-methoxyphenyl)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5-methylpyridazino[4,5-b]indol-4-one
CID 46254771
N-[3-(azepan-1-yl)propyl]-3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 20858127
3-(3-chloro-4-methoxyphenyl)-5-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazino[4,5-b]indole-1-carboxamide
CID 20858176
5-methyl-3-(4-methylphenyl)-1-(4-phenylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 20856106
1-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 20856060
7-chloro-3-(4-chlorophenyl)-5-methyl-1-(4-methylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 10227077
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 22334112
7-chloro-5-methyl-3-phenyl-1-(4-propan-2-ylpiperazine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 10298474
1-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(4-methoxyphenyl)-5-methylpyridazino[4,5-b]indol-4-one
CID 20855993
7-chloro-3-(3,5-dichlorophenyl)-5-methyl-1-(pyrrolidine-1-carbonyl)pyridazino[4,5-b]indol-4-one
CID 18425201
2-(4-chlorophenyl)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-1,2,4-triazine-3,5-dione
CID 53088631

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one (CID 20858120) is 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one is CCN1CCN(C(=O)c2nn(-c3ccc(OC)c(Cl)c3)c(=O)c3c2c2ccccc2n3C)CC1.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one?
The InChIKey is VBDOJFYQONOIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c1-4-29-11-13-30(14-12-29)24(32)22-21-17-7-5-6-8-19(17)28(2)23(21)25(33)31(27-22)16-9-10-20(34-3)18(26)15-16/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one?
3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one has a molecular weight of 479.97 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)-5-methylpyridazino[4,5-b]indol-4-one is sourced from PubChem (CID 20858120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).