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

C26H29ClN8O3 — CID 25152167

IUPAC1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCN1CCN(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1
InChIInChI=1S/C26H29ClN8O3/c1-32-9-11-33(12-10-32)20-14-17(13-18(27)15-20)25-31-30-22(38-25)16-23(36)34-7-4-19(5-8-34)35-21-3-2-6-28-24(21)29-26(35)37/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,28,29,37)
InChIKeyZFDWLELPGOPUJY-UHFFFAOYSA-N
MW537.02 g/mol
LogP2.59
Rot. Bonds5

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

1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 25152167) has the molecular formula C26H29ClN8O3 and a molecular weight of 537.02 g/mol. Its IUPAC name is 1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-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-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID25152167
Molecular FormulaC26H29ClN8O3
Molecular Weight537.02 g/mol
Exact Mass536.21
IUPAC Name1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCN1CCN(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1
InChIInChI=1S/C26H29ClN8O3/c1-32-9-11-33(12-10-32)20-14-17(13-18(27)15-20)25-31-30-22(38-25)16-23(36)34-7-4-19(5-8-34)35-21-3-2-6-28-24(21)29-26(35)37/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,28,29,37)
InChIKeyZFDWLELPGOPUJY-UHFFFAOYSA-N
XLogP2.59
TPSA116.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.02
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-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-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 25152167) is 1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-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-chloro-5-(4-methylpiperazin-1-yl)phenyl]-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-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is CN1CCN(c2cc(Cl)cc(-c3nnc(CC(=O)N4CCC(n5c(=O)[nH]c6ncccc65)CC4)o3)c2)CC1.
What is the InChIKey of 1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is ZFDWLELPGOPUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN8O3/c1-32-9-11-33(12-10-32)20-14-17(13-18(27)15-20)25-31-30-22(38-25)16-23(36)34-7-4-19(5-8-34)35-21-3-2-6-28-24(21)29-26(35)37/h2-3,6,13-15,19H,4-5,7-12,16H2,1H3,(H,28,29,37).
What are the key properties of 1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 537.02 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[5-[3-chloro-5-(4-methylpiperazin-1-yl)phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 25152167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).