(2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone

C20H15N3O2S — CID 134833519

IUPAC(2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCSc1nc2cc(C(=O)c3ccccc3O)cnc2n1-c1ccccc1
InChIInChI=1S/C20H15N3O2S/c1-26-20-22-16-11-13(18(25)15-9-5-6-10-17(15)24)12-21-19(16)23(20)14-7-3-2-4-8-14/h2-12,24H,1H3
InChIKeyLRHMLPIXRFKMTL-UHFFFAOYSA-N
MW361.43 g/mol
LogP4.08
Rot. Bonds4

About (2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone

(2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone (PubChem CID 134833519) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
PubChem CID134833519
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name(2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESCSc1nc2cc(C(=O)c3ccccc3O)cnc2n1-c1ccccc1
InChIInChI=1S/C20H15N3O2S/c1-26-20-22-16-11-13(18(25)15-9-5-6-10-17(15)24)12-21-19(16)23(20)14-7-3-2-4-8-14/h2-12,24H,1H3
InChIKeyLRHMLPIXRFKMTL-UHFFFAOYSA-N
XLogP4.08
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone (CID 134833519) is (2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone is CSc1nc2cc(C(=O)c3ccccc3O)cnc2n1-c1ccccc1.
What is the InChIKey of (2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is LRHMLPIXRFKMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c1-26-20-22-16-11-13(18(25)15-9-5-6-10-17(15)24)12-21-19(16)23(20)14-7-3-2-4-8-14/h2-12,24H,1H3.
What are the key properties of (2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
(2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 361.43 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(2-methylsulfanyl-3-phenylimidazo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 134833519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).