(2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone

C17H19N3O3S — CID 71683448

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1nn(C)c2c1CS(=O)(=O)CC2
InChIInChI=1S/C17H19N3O3S/c1-11-9-12-5-3-4-6-14(12)20(11)17(21)16-13-10-24(22,23)8-7-15(13)19(2)18-16/h3-6,11H,7-10H2,1-2H3
InChIKeyGVGYPCCKJUWNSE-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.48
Rot. Bonds1

About (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone

(2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone (PubChem CID 71683448) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone
PubChem CID71683448
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1nn(C)c2c1CS(=O)(=O)CC2
InChIInChI=1S/C17H19N3O3S/c1-11-9-12-5-3-4-6-14(12)20(11)17(21)16-13-10-24(22,23)8-7-15(13)19(2)18-16/h3-6,11H,7-10H2,1-2H3
InChIKeyGVGYPCCKJUWNSE-UHFFFAOYSA-N
XLogP1.48
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone with MolForge

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid
CID 42552584
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 26910878
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 43083133
(1,1-dioxothian-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863895
(4-amino-5-cyclopropyl-1H-pyrazol-3-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62075475
[5-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109238203
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone (CID 71683448) is (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone is CC1Cc2ccccc2N1C(=O)c1nn(C)c2c1CS(=O)(=O)CC2.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone?
The InChIKey is GVGYPCCKJUWNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-9-12-5-3-4-6-14(12)20(11)17(21)16-13-10-24(22,23)8-7-15(13)19(2)18-16/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone has a molecular weight of 345.42 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(1-methyl-5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanone is sourced from PubChem (CID 71683448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).