azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone

C19H23ClN4O2 — CID 131652015

IUPACazetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
SMILESCn1cnc2c1C(C(=O)N1CCC1)CN(CCOc1ccc(Cl)cc1)C2
InChIInChI=1S/C19H23ClN4O2/c1-22-13-21-17-12-23(9-10-26-15-5-3-14(20)4-6-15)11-16(18(17)22)19(25)24-7-2-8-24/h3-6,13,16H,2,7-12H2,1H3
InChIKeyMMTLUMPFLUGFFY-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.28
Rot. Bonds5

About azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone

azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (PubChem CID 131652015) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
PubChem CID131652015
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Nameazetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone
SMILESCn1cnc2c1C(C(=O)N1CCC1)CN(CCOc1ccc(Cl)cc1)C2
InChIInChI=1S/C19H23ClN4O2/c1-22-13-21-17-12-23(9-10-26-15-5-3-14(20)4-6-15)11-16(18(17)22)19(25)24-7-2-8-24/h3-6,13,16H,2,7-12H2,1H3
InChIKeyMMTLUMPFLUGFFY-UHFFFAOYSA-N
XLogP2.28
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone 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 azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The IUPAC name of azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone (CID 131652015) is azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone.
What is the SMILES notation for azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The canonical SMILES for azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is Cn1cnc2c1C(C(=O)N1CCC1)CN(CCOc1ccc(Cl)cc1)C2.
What is the InChIKey of azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
The InChIKey is MMTLUMPFLUGFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-22-13-21-17-12-23(9-10-26-15-5-3-14(20)4-6-15)11-16(18(17)22)19(25)24-7-2-8-24/h3-6,13,16H,2,7-12H2,1H3.
What are the key properties of azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone?
azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone has a molecular weight of 374.87 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[5-[2-(4-chlorophenoxy)ethyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-7-yl]methanone is sourced from PubChem (CID 131652015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).