1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C23H24N6O3 — CID 25152985

IUPAC1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(C)cc(-c2nnc(CC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)o2)c1
InChIInChI=1S/C23H24N6O3/c1-14-10-15(2)12-16(11-14)22-27-26-19(32-22)13-20(30)28-8-5-17(6-9-28)29-18-4-3-7-24-21(18)25-23(29)31/h3-4,7,10-12,17H,5-6,8-9,13H2,1-2H3,(H,24,25,31)
InChIKeyQTWAIWABHFQGQO-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.80
Rot. Bonds4

About 1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25152985) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25152985
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cc(C)cc(-c2nnc(CC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)o2)c1
InChIInChI=1S/C23H24N6O3/c1-14-10-15(2)12-16(11-14)22-27-26-19(32-22)13-20(30)28-8-5-17(6-9-28)29-18-4-3-7-24-21(18)25-23(29)31/h3-4,7,10-12,17H,5-6,8-9,13H2,1-2H3,(H,24,25,31)
InChIKeyQTWAIWABHFQGQO-UHFFFAOYSA-N
XLogP2.80
TPSA109.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 25152985) is 1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is Cc1cc(C)cc(-c2nnc(CC(=O)N3CCC(n4c(=O)[nH]c5ncccc54)CC3)o2)c1.
What is the InChIKey of 1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is QTWAIWABHFQGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-14-10-15(2)12-16(11-14)22-27-26-19(32-22)13-20(30)28-8-5-17(6-9-28)29-18-4-3-7-24-21(18)25-23(29)31/h3-4,7,10-12,17H,5-6,8-9,13H2,1-2H3,(H,24,25,31).
What are the key properties of 1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 432.48 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25152985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).