4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine

C20H16ClFN6O — CID 86270191

IUPAC4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
SMILESFc1ccc(-n2c(-c3cnc(N4CCOCC4)nc3)nc3ccncc32)c(Cl)c1
InChIInChI=1S/C20H16ClFN6O/c21-15-9-14(22)1-2-17(15)28-18-12-23-4-3-16(18)26-19(28)13-10-24-20(25-11-13)27-5-7-29-8-6-27/h1-4,9-12H,5-8H2
InChIKeyMHFMIFMNOQPLEA-UHFFFAOYSA-N
MW410.84 g/mol
LogP3.51
Rot. Bonds3

About 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine

4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine (PubChem CID 86270191) has the molecular formula C20H16ClFN6O and a molecular weight of 410.84 g/mol. Its IUPAC name is 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
PubChem CID86270191
Molecular FormulaC20H16ClFN6O
Molecular Weight410.84 g/mol
Exact Mass410.11
IUPAC Name4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
SMILESFc1ccc(-n2c(-c3cnc(N4CCOCC4)nc3)nc3ccncc32)c(Cl)c1
InChIInChI=1S/C20H16ClFN6O/c21-15-9-14(22)1-2-17(15)28-18-12-23-4-3-16(18)26-19(28)13-10-24-20(25-11-13)27-5-7-29-8-6-27/h1-4,9-12H,5-8H2
InChIKeyMHFMIFMNOQPLEA-UHFFFAOYSA-N
XLogP3.51
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.84
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine 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 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine (CID 86270191) is 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine is Fc1ccc(-n2c(-c3cnc(N4CCOCC4)nc3)nc3ccncc32)c(Cl)c1.
What is the InChIKey of 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
The InChIKey is MHFMIFMNOQPLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN6O/c21-15-9-14(22)1-2-17(15)28-18-12-23-4-3-16(18)26-19(28)13-10-24-20(25-11-13)27-5-7-29-8-6-27/h1-4,9-12H,5-8H2.
What are the key properties of 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine?
4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine has a molecular weight of 410.84 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 86270191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).