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

C21H18Cl2N6O3 — CID 25152564

IUPAC1-[1-[2-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(Cc1nnc(-c2cc(Cl)ccc2Cl)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C21H18Cl2N6O3/c22-12-3-4-15(23)14(10-12)20-27-26-17(32-20)11-18(30)28-8-5-13(6-9-28)29-16-2-1-7-24-19(16)25-21(29)31/h1-4,7,10,13H,5-6,8-9,11H2,(H,24,25,31)
InChIKeyIGLZGXWKCUQYRS-UHFFFAOYSA-N
MW473.32 g/mol
LogP3.49
Rot. Bonds4

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

1-[1-[2-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25152564) has the molecular formula C21H18Cl2N6O3 and a molecular weight of 473.32 g/mol. Its IUPAC name is 1-[1-[2-[5-(2,5-dichlorophenyl)-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-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25152564
Molecular FormulaC21H18Cl2N6O3
Molecular Weight473.32 g/mol
Exact Mass472.08
IUPAC Name1-[1-[2-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=C(Cc1nnc(-c2cc(Cl)ccc2Cl)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1
InChIInChI=1S/C21H18Cl2N6O3/c22-12-3-4-15(23)14(10-12)20-27-26-17(32-20)11-18(30)28-8-5-13(6-9-28)29-16-2-1-7-24-19(16)25-21(29)31/h1-4,7,10,13H,5-6,8-9,11H2,(H,24,25,31)
InChIKeyIGLZGXWKCUQYRS-UHFFFAOYSA-N
XLogP3.49
TPSA109.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.32
LogP ≤ 53.49
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-(2,5-dichlorophenyl)-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-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 25152564) is 1-[1-[2-[5-(2,5-dichlorophenyl)-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-(2,5-dichlorophenyl)-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-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=C(Cc1nnc(-c2cc(Cl)ccc2Cl)o1)N1CCC(n2c(=O)[nH]c3ncccc32)CC1.
What is the InChIKey of 1-[1-[2-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IGLZGXWKCUQYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N6O3/c22-12-3-4-15(23)14(10-12)20-27-26-17(32-20)11-18(30)28-8-5-13(6-9-28)29-16-2-1-7-24-19(16)25-21(29)31/h1-4,7,10,13H,5-6,8-9,11H2,(H,24,25,31).
What are the key properties of 1-[1-[2-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[2-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 473.32 g/mol, XLogP of 3.49, 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-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25152564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).