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

C20H19N5O — CID 135687549

IUPAC5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCN(C)Cc1c(-c2cc(-c3ccncc3)n[nH]c2=O)[nH]c2ccccc12
InChIInChI=1S/C20H19N5O/c1-25(2)12-16-14-5-3-4-6-17(14)22-19(16)15-11-18(23-24-20(15)26)13-7-9-21-10-8-13/h3-11,22H,12H2,1-2H3,(H,24,26)
InChIKeyFFLMJDWUFYLMBT-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.04
Rot. Bonds4

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

5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one (PubChem CID 135687549) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
PubChem CID135687549
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
SMILESCN(C)Cc1c(-c2cc(-c3ccncc3)n[nH]c2=O)[nH]c2ccccc12
InChIInChI=1S/C20H19N5O/c1-25(2)12-16-14-5-3-4-6-17(14)22-19(16)15-11-18(23-24-20(15)26)13-7-9-21-10-8-13/h3-11,22H,12H2,1-2H3,(H,24,26)
InChIKeyFFLMJDWUFYLMBT-UHFFFAOYSA-N
XLogP3.04
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-benzyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961837
5-(3-cyclopropyl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961896
5-[6-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961854
4-propyl-3-pyridin-4-yl-1H-quinolin-2-one
CID 142650148
3-(6-oxo-1H-pyridin-3-yl)-5-(3-phenyl-1H-indol-2-yl)-1H-pyridazin-6-one
CID 135961881
5-[5-[(dipropylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135961815
5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride
CID 20527782
1-(3-ethyl-1H-indol-2-yl)-N,N-dimethylmethanamine
CID 71197818
5-(5-propan-2-yl-1H-indol-2-yl)-3-pyridin-4-yl-1H-pyridazin-6-one
CID 135508253
3-(1,2-dihydropyridin-4-yl)-5-[3-(morpholin-4-ylmethyl)-1H-indol-2-yl]-1H-pyridazin-6-one
CID 143135743
4-(4-pyridin-4-ylphenyl)-2H-phthalazin-1-one
CID 110187221
ethane;4-(5-methyl-1H-pyrazol-3-yl)pyridine
CID 144864305

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The IUPAC name of 5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one (CID 135687549) is 5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one is CN(C)Cc1c(-c2cc(-c3ccncc3)n[nH]c2=O)[nH]c2ccccc12.
What is the InChIKey of 5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
The InChIKey is FFLMJDWUFYLMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-25(2)12-16-14-5-3-4-6-17(14)22-19(16)15-11-18(23-24-20(15)26)13-7-9-21-10-8-13/h3-11,22H,12H2,1-2H3,(H,24,26).
What are the key properties of 5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one?
5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one has a molecular weight of 345.41 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(dimethylamino)methyl]-1H-indol-2-yl]-3-pyridin-4-yl-1H-pyridazin-6-one is sourced from PubChem (CID 135687549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).