6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C18H13ClN4OS — CID 138567822

IUPAC6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCSc1ccc(-c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)nc1
InChIInChI=1S/C18H13ClN4OS/c1-25-12-6-7-14(20-9-12)10-2-4-11(5-3-10)16-13(19)8-15-17(22-16)23-18(24)21-15/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyLNIWJKMELKCHAG-UHFFFAOYSA-N
MW368.85 g/mol
LogP4.36
Rot. Bonds3

About 6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 138567822) has the molecular formula C18H13ClN4OS and a molecular weight of 368.85 g/mol. Its IUPAC name is 6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID138567822
Molecular FormulaC18H13ClN4OS
Molecular Weight368.85 g/mol
Exact Mass368.05
IUPAC Name6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCSc1ccc(-c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)nc1
InChIInChI=1S/C18H13ClN4OS/c1-25-12-6-7-14(20-9-12)10-2-4-11(5-3-10)16-13(19)8-15-17(22-16)23-18(24)21-15/h2-9H,1H3,(H2,21,22,23,24)
InChIKeyLNIWJKMELKCHAG-UHFFFAOYSA-N
XLogP4.36
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.85
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 138567822) is 6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is CSc1ccc(-c2ccc(-c3nc4[nH]c(=O)[nH]c4cc3Cl)cc2)nc1.
What is the InChIKey of 6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is LNIWJKMELKCHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4OS/c1-25-12-6-7-14(20-9-12)10-2-4-11(5-3-10)16-13(19)8-15-17(22-16)23-18(24)21-15/h2-9H,1H3,(H2,21,22,23,24).
What are the key properties of 6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 368.85 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-(5-methylsulfanyl-2-pyridinyl)phenyl]-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 138567822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).