1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione

C20H20ClFN4O3 — CID 178098680

IUPAC1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione
SMILESCn1c(=O)n(C2CCCN(C(=O)Cc3cc(F)cc(Cl)c3)C2)c2ccc(=O)[nH]c21
InChIInChI=1S/C20H20ClFN4O3/c1-24-19-16(4-5-17(27)23-19)26(20(24)29)15-3-2-6-25(11-15)18(28)9-12-7-13(21)10-14(22)8-12/h4-5,7-8,10,15H,2-3,6,9,11H2,1H3,(H,23,27)
InChIKeyIYZMISRNKUKEAZ-UHFFFAOYSA-N
MW418.86 g/mol
LogP2.23
Rot. Bonds3

About 1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione

1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione (PubChem CID 178098680) has the molecular formula C20H20ClFN4O3 and a molecular weight of 418.86 g/mol. Its IUPAC name is 1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione.

Molecular Properties

Compound Name1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione
PubChem CID178098680
Molecular FormulaC20H20ClFN4O3
Molecular Weight418.86 g/mol
Exact Mass418.12
IUPAC Name1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione
SMILESCn1c(=O)n(C2CCCN(C(=O)Cc3cc(F)cc(Cl)c3)C2)c2ccc(=O)[nH]c21
InChIInChI=1S/C20H20ClFN4O3/c1-24-19-16(4-5-17(27)23-19)26(20(24)29)15-3-2-6-25(11-15)18(28)9-12-7-13(21)10-14(22)8-12/h4-5,7-8,10,15H,2-3,6,9,11H2,1H3,(H,23,27)
InChIKeyIYZMISRNKUKEAZ-UHFFFAOYSA-N
XLogP2.23
TPSA80.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.86
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione 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-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione?
The IUPAC name of 1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione (CID 178098680) is 1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione.
What is the SMILES notation for 1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione?
The canonical SMILES for 1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione is Cn1c(=O)n(C2CCCN(C(=O)Cc3cc(F)cc(Cl)c3)C2)c2ccc(=O)[nH]c21.
What is the InChIKey of 1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione?
The InChIKey is IYZMISRNKUKEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4O3/c1-24-19-16(4-5-17(27)23-19)26(20(24)29)15-3-2-6-25(11-15)18(28)9-12-7-13(21)10-14(22)8-12/h4-5,7-8,10,15H,2-3,6,9,11H2,1H3,(H,23,27).
What are the key properties of 1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione?
1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione has a molecular weight of 418.86 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(3-chloro-5-fluorophenyl)acetyl]piperidin-3-yl]-3-methyl-4H-imidazo[4,5-b]pyridine-2,5-dione is sourced from PubChem (CID 178098680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).