1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one

C24H23N5O4S — CID 118454360

IUPAC1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one
SMILESCS(=O)(=O)c1ccc(Oc2cc(-c3nc4ncccc4[nH]3)ccc2CN2CCCCC2=O)cn1
InChIInChI=1S/C24H23N5O4S/c1-34(31,32)21-10-9-18(14-26-21)33-20-13-16(23-27-19-5-4-11-25-24(19)28-23)7-8-17(20)15-29-12-3-2-6-22(29)30/h4-5,7-11,13-14H,2-3,6,12,15H2,1H3,(H,25,27,28)
InChIKeyXRJIYFNTJPHAGY-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.73
Rot. Bonds6

About 1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one

1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one (PubChem CID 118454360) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one
PubChem CID118454360
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one
SMILESCS(=O)(=O)c1ccc(Oc2cc(-c3nc4ncccc4[nH]3)ccc2CN2CCCCC2=O)cn1
InChIInChI=1S/C24H23N5O4S/c1-34(31,32)21-10-9-18(14-26-21)33-20-13-16(23-27-19-5-4-11-25-24(19)28-23)7-8-17(20)15-29-12-3-2-6-22(29)30/h4-5,7-11,13-14H,2-3,6,12,15H2,1H3,(H,25,27,28)
InChIKeyXRJIYFNTJPHAGY-UHFFFAOYSA-N
XLogP3.73
TPSA118.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one?
The IUPAC name of 1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one (CID 118454360) is 1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one?
The canonical SMILES for 1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one is CS(=O)(=O)c1ccc(Oc2cc(-c3nc4ncccc4[nH]3)ccc2CN2CCCCC2=O)cn1.
What is the InChIKey of 1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one?
The InChIKey is XRJIYFNTJPHAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-34(31,32)21-10-9-18(14-26-21)33-20-13-16(23-27-19-5-4-11-25-24(19)28-23)7-8-17(20)15-29-12-3-2-6-22(29)30/h4-5,7-11,13-14H,2-3,6,12,15H2,1H3,(H,25,27,28).
What are the key properties of 1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one?
1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one has a molecular weight of 477.55 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1H-imidazo[4,5-b]pyridin-2-yl)-2-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 118454360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).