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

C92H97Cl5F6N20 — CID 173468591

About 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

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 (PubChem CID 173468591) has the molecular formula C92H97Cl5F6N20 and a molecular weight of 1774.18 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 173468591
• Molecular Formula: C92H97Cl5F6N20
• Molecular Weight: 1774.18 g/mol
• Exact Mass: 1770.66
• IUPAC Name: 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
• SMILES: NC1CCC(Nc2cc(-c3ccnc(NCc4ccc(Cl)cc4)c3)c(Cl)cn2)CC1.NC1CCC(Nc2cc(-c3ccnc(NCc4ccc(F)c(F)c4)c3)c(Cl)cn2)CC1.NC1CCC(Nc2cc(-c3ccnc(NCc4ccc(F)cc4F)c3)c(Cl)cn2)CC1.NC1CCC(Nc2cc(-c3ccnc(NCc4cccc(F)c4F)c3)c(Cl)cn2)CC1
• InChI: InChI=1S/C23H25Cl2N5.3C23H24ClF2N5/c24-17-3-1-15(2-4-17)13-28-22-11-16(9-10-27-22)20-12-23(29-14-21(20)25)30-19-7-5-18(26)6-8-19;24-19-13-30-23(31-17-4-2-16(27)3-5-17)11-18(19)15-7-8-28-22(10-15)29-12-14-1-6-20(25)21(26)9-14;24-20-13-30-23(31-18-5-3-17(27)4-6-18)11-19(20)14-7-8-28-22(9-14)29-12-15-1-2-16(25)10-21(15)26;24-19-13-30-22(31-17-6-4-16(27)5-7-17)11-18(19)14-8-9-28-21(10-14)29-12-15-2-1-3-20(25)23(15)26/h1-4,9-12,14,18-19H,5-8,13,26H2,(H,27,28)(H,29,30);1,6-11,13,16-17H,2-5,12,27H2,(H,28,29)(H,30,31);1-2,7-11,13,17-18H,3-6,12,27H2,(H,28,29)(H,30,31);1-3,8-11,13,16-17H,4-7,12,27H2,(H,28,29)(H,30,31)
• InChIKey: XOUGWFYEUJFGSU-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 303.44 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1774.18
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is NC1CCC(Nc2cc(-c3ccnc(NCc4ccc(Cl)cc4)c3)c(Cl)cn2)CC1.NC1CCC(Nc2cc(-c3ccnc(NCc4ccc(F)c(F)c4)c3)c(Cl)cn2)CC1.NC1CCC(Nc2cc(-c3ccnc(NCc4ccc(F)cc4F)c3)c(Cl)cn2)CC1.NC1CCC(Nc2cc(-c3ccnc(NCc4cccc(F)c4F)c3)c(Cl)cn2)CC1.

What is the InChIKey of 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?

The InChIKey is XOUGWFYEUJFGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5.3C23H24ClF2N5/c24-17-3-1-15(2-4-17)13-28-22-11-16(9-10-27-22)20-12-23(29-14-21(20)25)30-19-7-5-18(26)6-8-19;24-19-13-30-23(31-17-4-2-16(27)3-5-17)11-18(19)15-7-8-28-22(10-15)29-12-14-1-6-20(25)21(26)9-14;24-20-13-30-23(31-18-5-3-17(27)4-6-18)11-19(20)14-7-8-28-22(9-14)29-12-15-1-2-16(25)10-21(15)26;24-19-13-30-22(31-17-6-4-16(27)5-7-17)11-18(19)14-8-9-28-21(10-14)29-12-15-2-1-3-20(25)23(15)26/h1-4,9-12,14,18-19H,5-8,13,26H2,(H,27,28)(H,29,30);1,6-11,13,16-17H,2-5,12,27H2,(H,28,29)(H,30,31);1-2,7-11,13,17-18H,3-6,12,27H2,(H,28,29)(H,30,31);1-3,8-11,13,16-17H,4-7,12,27H2,(H,28,29)(H,30,31).

What are the key properties of 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?

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 has a molecular weight of 1774.18 g/mol, XLogP of 21.85, 24 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 173468591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).