4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine

C24H25ClF2N4 — CID 67691259

IUPAC4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(-c3cc(NCc4cccc(F)c4)ccc3F)c(Cl)cn2)CC1
InChIInChI=1S/C24H25ClF2N4/c25-22-14-30-24(31-18-6-4-17(28)5-7-18)12-20(22)21-11-19(8-9-23(21)27)29-13-15-2-1-3-16(26)10-15/h1-3,8-12,14,17-18,29H,4-7,13,28H2,(H,30,31)
InChIKeyOJJDIGZTONAEIB-UHFFFAOYSA-N
MW442.94 g/mol
LogP5.97
Rot. Bonds6

About 4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine

4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 67691259) has the molecular formula C24H25ClF2N4 and a molecular weight of 442.94 g/mol. Its IUPAC name is 4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID67691259
Molecular FormulaC24H25ClF2N4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(-c3cc(NCc4cccc(F)c4)ccc3F)c(Cl)cn2)CC1
InChIInChI=1S/C24H25ClF2N4/c25-22-14-30-24(31-18-6-4-17(28)5-7-18)12-20(22)21-11-19(8-9-23(21)27)29-13-15-2-1-3-16(26)10-15/h1-3,8-12,14,17-18,29H,4-7,13,28H2,(H,30,31)
InChIKeyOJJDIGZTONAEIB-UHFFFAOYSA-N
XLogP5.97
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.94
LogP ≤ 55.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine 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-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine (CID 67691259) is 4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine is NC1CCC(Nc2cc(-c3cc(NCc4cccc(F)c4)ccc3F)c(Cl)cn2)CC1.
What is the InChIKey of 4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is OJJDIGZTONAEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClF2N4/c25-22-14-30-24(31-18-6-4-17(28)5-7-18)12-20(22)21-11-19(8-9-23(21)27)29-13-15-2-1-3-16(26)10-15/h1-3,8-12,14,17-18,29H,4-7,13,28H2,(H,30,31).
What are the key properties of 4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 442.94 g/mol, XLogP of 5.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 67691259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).