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

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Related Compounds

5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine
CID 67641420
4-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 67691819
4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 123237278
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(oxan-4-yl)pyridin-2-amine
CID 70794022
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
CID 77460758
5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-N-[4-(methylaminomethyl)cyclohexyl]pyridin-2-amine
CID 123385583
4-N-[5-chloro-4-[2-ethyl-3-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
CID 123136104
6-[2-[(4-aminocyclohexyl)methyl]-5-chloro-4-pyridinyl]-3-fluoro-N-[(3-fluorophenyl)methyl]pyridin-2-amine;methane
CID 162043335
N-[[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methyl]ethanesulfonamide
CID 70793963
4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]-N-methylcyclohexane-1-carboxamide
CID 70793954
4-N-[5-chloro-4-[2-[(4-chlorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-[(2,3-difluorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-[(2,4-difluorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 173468591
5-chloro-N-cyclohex-3-en-1-yl-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]pyridin-2-amine
CID 66937052

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).