2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid

C24H24ClFN6O3 — CID 11677711

IUPAC2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCN(c2cc(-c3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C24H24ClFN6O3/c25-18-14-16(3-4-19(18)26)20-15-21(29-24(28-20)32-10-12-35-13-11-32)30-6-8-31(9-7-30)22-17(23(33)34)2-1-5-27-22/h1-5,14-15H,6-13H2,(H,33,34)
InChIKeyKTRFRMNEAKSRMV-UHFFFAOYSA-N
MW498.95 g/mol
LogP3.19
Rot. Bonds5

About 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid

2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 11677711) has the molecular formula C24H24ClFN6O3 and a molecular weight of 498.95 g/mol. Its IUPAC name is 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID11677711
Molecular FormulaC24H24ClFN6O3
Molecular Weight498.95 g/mol
Exact Mass498.16
IUPAC Name2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCN(c2cc(-c3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C24H24ClFN6O3/c25-18-14-16(3-4-19(18)26)20-15-21(29-24(28-20)32-10-12-35-13-11-32)30-6-8-31(9-7-30)22-17(23(33)34)2-1-5-27-22/h1-5,14-15H,6-13H2,(H,33,34)
InChIKeyKTRFRMNEAKSRMV-UHFFFAOYSA-N
XLogP3.19
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.95
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid 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 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid (CID 11677711) is 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCN(c2cc(-c3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is KTRFRMNEAKSRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN6O3/c25-18-14-16(3-4-19(18)26)20-15-21(29-24(28-20)32-10-12-35-13-11-32)30-6-8-31(9-7-30)22-17(23(33)34)2-1-5-27-22/h1-5,14-15H,6-13H2,(H,33,34).
What are the key properties of 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid?
2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 498.95 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3-chloro-4-fluorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 11677711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).