5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one

C22H21N5O2 — CID 135687542

IUPAC5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccncc2)cc1-c1cc2ccc(CN3CCOCC3)cc2[nH]1
InChIInChI=1S/C22H21N5O2/c28-22-18(13-20(25-26-22)16-3-5-23-6-4-16)21-12-17-2-1-15(11-19(17)24-21)14-27-7-9-29-10-8-27/h1-6,11-13,24H,7-10,14H2,(H,26,28)
InChIKeyAXEMPSPZTPGBHM-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.81
Rot. Bonds4

About 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one

5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one (PubChem CID 135687542) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
PubChem CID135687542
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESO=c1[nH]nc(-c2ccncc2)cc1-c1cc2ccc(CN3CCOCC3)cc2[nH]1
InChIInChI=1S/C22H21N5O2/c28-22-18(13-20(25-26-22)16-3-5-23-6-4-16)21-12-17-2-1-15(11-19(17)24-21)14-27-7-9-29-10-8-27/h1-6,11-13,24H,7-10,14H2,(H,26,28)
InChIKeyAXEMPSPZTPGBHM-UHFFFAOYSA-N
XLogP2.81
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one with MolForge

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Related Compounds

5-[6-[(1-propan-2-ylazocan-4-yl)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 143135785
(2S)-1-[[2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-1H-indol-5-yl]methyl]piperidine-2-carboxylic acid
CID 135961862
5-[6-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961854
5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961815
ethane;2-methyl-7-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
CID 142263154
5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135508253
3-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxylic acid
CID 117463545
4-[[2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-indol-5-yl]methyl]morpholine
CID 170984757
[2-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanamine
CID 117179949
3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 59474843
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
4-[[2-[6-(4,5-dihydro-1,3-oxazol-2-yl)-1H-indazol-3-yl]-1H-indol-5-yl]methyl]morpholine
CID 135461250

Frequently Asked Questions

What is the IUPAC name of 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one (CID 135687542) is 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one is O=c1[nH]nc(-c2ccncc2)cc1-c1cc2ccc(CN3CCOCC3)cc2[nH]1.
What is the InChIKey of 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The InChIKey is AXEMPSPZTPGBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-22-18(13-20(25-26-22)16-3-5-23-6-4-16)21-12-17-2-1-15(11-19(17)24-21)14-27-7-9-29-10-8-27/h1-6,11-13,24H,7-10,14H2,(H,26,28).
What are the key properties of 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one has a molecular weight of 387.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(morpholin-4-ylmethyl)-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 135687542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).