2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide

C25H25N5O2 — CID 126936252

IUPAC2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC1CCC(n2nc(-c3cccnc3)ccc2=O)CC1
InChIInChI=1S/C25H25N5O2/c31-24(14-18-16-27-23-6-2-1-5-21(18)23)28-19-7-9-20(10-8-19)30-25(32)12-11-22(29-30)17-4-3-13-26-15-17/h1-6,11-13,15-16,19-20,27H,7-10,14H2,(H,28,31)
InChIKeyOQTGMLHELFCGGV-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.63
Rot. Bonds5

About 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide

2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide (PubChem CID 126936252) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide
PubChem CID126936252
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)NC1CCC(n2nc(-c3cccnc3)ccc2=O)CC1
InChIInChI=1S/C25H25N5O2/c31-24(14-18-16-27-23-6-2-1-5-21(18)23)28-19-7-9-20(10-8-19)30-25(32)12-11-22(29-30)17-4-3-13-26-15-17/h1-6,11-13,15-16,19-20,27H,7-10,14H2,(H,28,31)
InChIKeyOQTGMLHELFCGGV-UHFFFAOYSA-N
XLogP3.63
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide with MolForge

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Related Compounds

2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936379
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1H-indole-3-carboxamide
CID 126936213
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2-(1H-indol-3-yl)acetamide
CID 126934959
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
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 126936222
6-cyclopropyl-2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126935103
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318
6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one
CID 126936312
6-pyridin-3-yl-2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936514
N-cyclopropyl-3-[[2-(1H-indol-3-yl)acetyl]amino]propanamide
CID 79382425
2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936445

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide (CID 126936252) is 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide is O=C(Cc1c[nH]c2ccccc12)NC1CCC(n2nc(-c3cccnc3)ccc2=O)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide?
The InChIKey is OQTGMLHELFCGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c31-24(14-18-16-27-23-6-2-1-5-21(18)23)28-19-7-9-20(10-8-19)30-25(32)12-11-22(29-30)17-4-3-13-26-15-17/h1-6,11-13,15-16,19-20,27H,7-10,14H2,(H,28,31).
What are the key properties of 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide?
2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide has a molecular weight of 427.51 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide is sourced from PubChem (CID 126936252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).