3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C19H21N5O3 — CID 110814695

IUPAC3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCn1cc(C(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)c2ccccc21
InChIInChI=1S/C19H21N5O3/c1-22-12-14(13-4-2-3-5-16(13)22)18(26)23-8-10-24(11-9-23)19(27)15-6-7-17(25)21-20-15/h2-5,12H,6-11H2,1H3,(H,21,25)
InChIKeyWQQGWEZMAXVZFG-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.73
Rot. Bonds2

About 3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 110814695) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID110814695
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCn1cc(C(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)c2ccccc21
InChIInChI=1S/C19H21N5O3/c1-22-12-14(13-4-2-3-5-16(13)22)18(26)23-8-10-24(11-9-23)19(27)15-6-7-17(25)21-20-15/h2-5,12H,6-11H2,1H3,(H,21,25)
InChIKeyWQQGWEZMAXVZFG-UHFFFAOYSA-N
XLogP0.73
TPSA87.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808586
2-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 51279098
(3-bromophenyl)-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]methanone
CID 29139468
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
CID 106671237
1-[4-(1-methylindole-3-carbonyl)piperazin-1-yl]pentan-1-one
CID 110800667
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9335607
3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802367
3-[4-(3-phenylpropanoyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110802732

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 110814695) is 3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is Cn1cc(C(=O)N2CCN(C(=O)C3=NNC(=O)CC3)CC2)c2ccccc21.
What is the InChIKey of 3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is WQQGWEZMAXVZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-22-12-14(13-4-2-3-5-16(13)22)18(26)23-8-10-24(11-9-23)19(27)15-6-7-17(25)21-20-15/h2-5,12H,6-11H2,1H3,(H,21,25).
What are the key properties of 3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 367.41 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylindole-3-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 110814695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).