3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one

C18H17N3O2S — CID 3656139

IUPAC3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2sc(C(=O)N3c4ccccc4CC3C)c(N)c12
InChIInChI=1S/C18H17N3O2S/c1-9-7-13(22)20-17-14(9)15(19)16(24-17)18(23)21-10(2)8-11-5-3-4-6-12(11)21/h3-7,10H,8,19H2,1-2H3,(H,20,22)
InChIKeyZDXPCBKFMUCKSL-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.07
Rot. Bonds1

About 3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one

3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one (PubChem CID 3656139) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one
PubChem CID3656139
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one
SMILESCc1cc(=O)[nH]c2sc(C(=O)N3c4ccccc4CC3C)c(N)c12
InChIInChI=1S/C18H17N3O2S/c1-9-7-13(22)20-17-14(9)15(19)16(24-17)18(23)21-10(2)8-11-5-3-4-6-12(11)21/h3-7,10H,8,19H2,1-2H3,(H,20,22)
InChIKeyZDXPCBKFMUCKSL-UHFFFAOYSA-N
XLogP3.07
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one?
The IUPAC name of 3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one (CID 3656139) is 3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one is Cc1cc(=O)[nH]c2sc(C(=O)N3c4ccccc4CC3C)c(N)c12.
What is the InChIKey of 3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one?
The InChIKey is ZDXPCBKFMUCKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-9-7-13(22)20-17-14(9)15(19)16(24-17)18(23)21-10(2)8-11-5-3-4-6-12(11)21/h3-7,10H,8,19H2,1-2H3,(H,20,22).
What are the key properties of 3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one?
3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one has a molecular weight of 339.42 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-(2-methyl-2,3-dihydroindole-1-carbonyl)-7H-thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 3656139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).