2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one

C24H25N5O — CID 126936379

IUPAC2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1C1CCC(NCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H25N5O/c30-24-12-11-22(17-4-3-13-25-14-17)28-29(24)20-9-7-19(8-10-20)26-15-18-16-27-23-6-2-1-5-21(18)23/h1-6,11-14,16,19-20,26-27H,7-10,15H2
InChIKeyGIJXNFXRZXBYBI-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.06
Rot. Bonds5

About 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one

2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126936379) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126936379
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1C1CCC(NCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H25N5O/c30-24-12-11-22(17-4-3-13-25-14-17)28-29(24)20-9-7-19(8-10-20)26-15-18-16-27-23-6-2-1-5-21(18)23/h1-6,11-14,16,19-20,26-27H,7-10,15H2
InChIKeyGIJXNFXRZXBYBI-UHFFFAOYSA-N
XLogP4.06
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-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

2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide
CID 126936252
6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126935103
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1H-indole-3-carboxamide
CID 126936213
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2-(1H-indol-3-yl)acetamide
CID 126934959
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936493
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936354
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126936220
6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one
CID 126936312

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one (CID 126936379) is 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one is O=c1ccc(-c2cccnc2)nn1C1CCC(NCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is GIJXNFXRZXBYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-24-12-11-22(17-4-3-13-25-14-17)28-29(24)20-9-7-19(8-10-20)26-15-18-16-27-23-6-2-1-5-21(18)23/h1-6,11-14,16,19-20,26-27H,7-10,15H2.
What are the key properties of 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 399.50 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126936379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).