6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one

C23H18ClFN4O2 — CID 42567526

IUPAC6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1nc(Cl)ccc1=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F
InChIInChI=1S/C23H18ClFN4O2/c24-19-9-10-20(30)29(27-19)13-21(31)28-12-11-15-14-5-2-4-8-18(14)26-22(15)23(28)16-6-1-3-7-17(16)25/h1-10,23,26H,11-13H2/t23-/m1/s1
InChIKeyYVWYSVRWJPWQSH-HSZRJFAPSA-N
MW436.87 g/mol
LogP3.69
Rot. Bonds3

About 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one

6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 42567526) has the molecular formula C23H18ClFN4O2 and a molecular weight of 436.87 g/mol. Its IUPAC name is 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID42567526
Molecular FormulaC23H18ClFN4O2
Molecular Weight436.87 g/mol
Exact Mass436.11
IUPAC Name6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1nc(Cl)ccc1=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F
InChIInChI=1S/C23H18ClFN4O2/c24-19-9-10-20(30)29(27-19)13-21(31)28-12-11-15-14-5-2-4-8-18(14)26-22(15)23(28)16-6-1-3-7-17(16)25/h1-10,23,26H,11-13H2/t23-/m1/s1
InChIKeyYVWYSVRWJPWQSH-HSZRJFAPSA-N
XLogP3.69
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-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

1-[1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-pyridin-2-ylpropan-1-one
CID 45169331
N-(2-chlorophenyl)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920705
1-(2-fluorophenyl)-N-(3-methylbutyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920740
1-[4-[1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]thiophen-2-yl]ethanone
CID 45239960
1-[1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 45238836
1-[(1R)-1-(2-fluoro-4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 42121348
2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]chromen-4-one
CID 25461488
(1-ethylpyrazol-4-yl)-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone
CID 25366234
methyl 4-chloro-2-[[(1S)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]benzoate
CID 92745347
[1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 45253131
1-[(1R)-1-(2-chloro-6-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-pyridin-2-ylpropan-1-one
CID 42199400
6-chloro-2-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 166358142

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one (CID 42567526) is 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one is O=C(Cn1nc(Cl)ccc1=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1F.
What is the InChIKey of 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is YVWYSVRWJPWQSH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18ClFN4O2/c24-19-9-10-20(30)29(27-19)13-21(31)28-12-11-15-14-5-2-4-8-18(14)26-22(15)23(28)16-6-1-3-7-17(16)25/h1-10,23,26H,11-13H2/t23-/m1/s1.
What are the key properties of 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one?
6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 436.87 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-[(1R)-1-(2-fluorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 42567526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).