1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone

C17H16N4OS — CID 645653

IUPAC1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
SMILESCn1c(SCC(=O)N2CCc3ccccc32)nc2cccnc21
InChIInChI=1S/C17H16N4OS/c1-20-16-13(6-4-9-18-16)19-17(20)23-11-15(22)21-10-8-12-5-2-3-7-14(12)21/h2-7,9H,8,10-11H2,1H3
InChIKeyLBSZNNAVIDGYIT-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.65
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone

1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone (PubChem CID 645653) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
PubChem CID645653
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone
SMILESCn1c(SCC(=O)N2CCc3ccccc32)nc2cccnc21
InChIInChI=1S/C17H16N4OS/c1-20-16-13(6-4-9-18-16)19-17(20)23-11-15(22)21-10-8-12-5-2-3-7-14(12)21/h2-7,9H,8,10-11H2,1H3
InChIKeyLBSZNNAVIDGYIT-UHFFFAOYSA-N
XLogP2.65
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone (CID 645653) is 1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone is Cn1c(SCC(=O)N2CCc3ccccc32)nc2cccnc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
The InChIKey is LBSZNNAVIDGYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-20-16-13(6-4-9-18-16)19-17(20)23-11-15(22)21-10-8-12-5-2-3-7-14(12)21/h2-7,9H,8,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone?
1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone has a molecular weight of 324.41 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylethanone is sourced from PubChem (CID 645653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).