5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

C24H23Cl2F2N3OS — CID 23114883

IUPAC5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESFc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2cc(NCCN3CCOCC3)ncc2Cl)c1
InChIInChI=1S/C24H23Cl2F2N3OS/c25-16-1-4-18(5-2-16)33-24(20-13-17(27)3-6-22(20)28)19-14-23(30-15-21(19)26)29-7-8-31-9-11-32-12-10-31/h1-6,13-15,24H,7-12H2,(H,29,30)
InChIKeyRMEGYKAOPJFQAA-UHFFFAOYSA-N
MW510.44 g/mol
LogP6.29
Rot. Bonds8

About 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine

5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (PubChem CID 23114883) has the molecular formula C24H23Cl2F2N3OS and a molecular weight of 510.44 g/mol. Its IUPAC name is 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
PubChem CID23114883
Molecular FormulaC24H23Cl2F2N3OS
Molecular Weight510.44 g/mol
Exact Mass509.09
IUPAC Name5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
SMILESFc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2cc(NCCN3CCOCC3)ncc2Cl)c1
InChIInChI=1S/C24H23Cl2F2N3OS/c25-16-1-4-18(5-2-16)33-24(20-13-17(27)3-6-22(20)28)19-14-23(30-15-21(19)26)29-7-8-31-9-11-32-12-10-31/h1-6,13-15,24H,7-12H2,(H,29,30)
InChIKeyRMEGYKAOPJFQAA-UHFFFAOYSA-N
XLogP6.29
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.44
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine 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 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine (CID 23114883) is 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is Fc1ccc(F)c(C(Sc2ccc(Cl)cc2)c2cc(NCCN3CCOCC3)ncc2Cl)c1.
What is the InChIKey of 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
The InChIKey is RMEGYKAOPJFQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2F2N3OS/c25-16-1-4-18(5-2-16)33-24(20-13-17(27)3-6-22(20)28)19-14-23(30-15-21(19)26)29-7-8-31-9-11-32-12-10-31/h1-6,13-15,24H,7-12H2,(H,29,30).
What are the key properties of 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine?
5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine has a molecular weight of 510.44 g/mol, XLogP of 6.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(4-chlorophenyl)sulfanyl-(2,5-difluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 23114883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).