[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C19H22N4O3S — CID 109122979

IUPAC[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(N(C)C2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C19H22N4O3S/c1-13-11-14-5-3-4-6-17(14)23(13)19(24)16-7-8-18(21-20-16)22(2)15-9-10-27(25,26)12-15/h3-8,13,15H,9-12H2,1-2H3
InChIKeyOLFPHOQCABXJLK-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.69
Rot. Bonds3

About [6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 109122979) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is [6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID109122979
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(N(C)C2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C19H22N4O3S/c1-13-11-14-5-3-4-6-17(14)23(13)19(24)16-7-8-18(21-20-16)22(2)15-9-10-27(25,26)12-15/h3-8,13,15H,9-12H2,1-2H3
InChIKeyOLFPHOQCABXJLK-UHFFFAOYSA-N
XLogP1.69
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113352
6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxylic acid
CID 54919450
[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109122933
[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109238203
N-(1,1-dioxothiolan-3-yl)-N-ethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108950192
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]methanone
CID 109122924
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112862147
(2-methyl-2,3-dihydroindol-1-yl)-[6-(2-methyl-2,3-dihydroindol-1-yl)pyridazin-3-yl]methanone
CID 109130258
N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108978627
N-tert-butyl-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122927
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 124730939
6-[(1,1-dioxothiolan-3-yl)-methylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111199

Frequently Asked Questions

What is the IUPAC name of [6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 109122979) is [6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(N(C)C2CCS(=O)(=O)C2)nn1.
What is the InChIKey of [6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is OLFPHOQCABXJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-11-14-5-3-4-6-17(14)23(13)19(24)16-7-8-18(21-20-16)22(2)15-9-10-27(25,26)12-15/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of [6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 386.48 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 109122979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).