2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone

C17H13ClN4OS — CID 2570256

IUPAC2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C17H13ClN4OS/c1-9-15(11-4-2-3-5-12(11)20-9)14(23)8-24-17-21-13-6-10(18)7-19-16(13)22-17/h2-7,20H,8H2,1H3,(H,19,21,22)
InChIKeyXOWVLHZGHXCQEJ-UHFFFAOYSA-N
MW356.84 g/mol
LogP4.38
Rot. Bonds4

About 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone

2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone (PubChem CID 2570256) has the molecular formula C17H13ClN4OS and a molecular weight of 356.84 g/mol. Its IUPAC name is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
PubChem CID2570256
Molecular FormulaC17H13ClN4OS
Molecular Weight356.84 g/mol
Exact Mass356.05
IUPAC Name2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CSc1nc2ncc(Cl)cc2[nH]1
InChIInChI=1S/C17H13ClN4OS/c1-9-15(11-4-2-3-5-12(11)20-9)14(23)8-24-17-21-13-6-10(18)7-19-16(13)22-17/h2-7,20H,8H2,1H3,(H,19,21,22)
InChIKeyXOWVLHZGHXCQEJ-UHFFFAOYSA-N
XLogP4.38
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone (CID 2570256) is 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ncc(Cl)cc2[nH]1.
What is the InChIKey of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
The InChIKey is XOWVLHZGHXCQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4OS/c1-9-15(11-4-2-3-5-12(11)20-9)14(23)8-24-17-21-13-6-10(18)7-19-16(13)22-17/h2-7,20H,8H2,1H3,(H,19,21,22).
What are the key properties of 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone?
2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone has a molecular weight of 356.84 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2-methyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 2570256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).