6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one

C22H26N4O — CID 126935103

IUPAC6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(NCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H26N4O/c27-22-12-11-20(15-5-6-15)25-26(22)18-9-7-17(8-10-18)23-13-16-14-24-21-4-2-1-3-19(16)21/h1-4,11-12,14-15,17-18,23-24H,5-10,13H2
InChIKeyCUKTZLKQSXPMFV-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.88
Rot. Bonds5

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

6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126935103) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one
PubChem CID126935103
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1CCC(NCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H26N4O/c27-22-12-11-20(15-5-6-15)25-26(22)18-9-7-17(8-10-18)23-13-16-14-24-21-4-2-1-3-19(16)21/h1-4,11-12,14-15,17-18,23-24H,5-10,13H2
InChIKeyCUKTZLKQSXPMFV-UHFFFAOYSA-N
XLogP3.88
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2-(1H-indol-3-yl)acetamide
CID 126934959
2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936379
2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide
CID 126936252
6-cyclopropyl-2-[4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]pyridazin-3-one
CID 126935221
2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide
CID 62330627
N-[2-(1H-indol-3-yl)ethyl]-4-phenylcyclohexan-1-amine
CID 1378371
6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935165
6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935074
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-1H-indole-3-carboxamide
CID 122277980
6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939070
6-cyclopropyl-2-[4-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935075
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1H-indole-3-carboxamide
CID 126936213

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one (CID 126935103) is 6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1CCC(NCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is CUKTZLKQSXPMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c27-22-12-11-20(15-5-6-15)25-26(22)18-9-7-17(8-10-18)23-13-16-14-24-21-4-2-1-3-19(16)21/h1-4,11-12,14-15,17-18,23-24H,5-10,13H2.
What are the key properties of 6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one?
6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 362.48 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126935103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).