4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine

C23H25F2N5 — CID 50907429

IUPAC4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(F)cn2)CC1
InChIInChI=1S/C23H25F2N5/c24-16-4-1-3-15(11-16)13-27-22-6-2-5-21(30-22)19-12-23(28-14-20(19)25)29-18-9-7-17(26)8-10-18/h1-6,11-12,14,17-18H,7-10,13,26H2,(H,27,30)(H,28,29)
InChIKeyVZGQHJRXPKGKNM-UHFFFAOYSA-N
MW409.48 g/mol
LogP4.72
Rot. Bonds6

About 4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine

4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 50907429) has the molecular formula C23H25F2N5 and a molecular weight of 409.48 g/mol. Its IUPAC name is 4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID50907429
Molecular FormulaC23H25F2N5
Molecular Weight409.48 g/mol
Exact Mass409.21
IUPAC Name4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(F)cn2)CC1
InChIInChI=1S/C23H25F2N5/c24-16-4-1-3-15(11-16)13-27-22-6-2-5-21(30-22)19-12-23(28-14-20(19)25)29-18-9-7-17(26)8-10-18/h1-6,11-12,14,17-18H,7-10,13,26H2,(H,27,30)(H,28,29)
InChIKeyVZGQHJRXPKGKNM-UHFFFAOYSA-N
XLogP4.72
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine (CID 50907429) is 4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine is NC1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(F)cn2)CC1.
What is the InChIKey of 4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is VZGQHJRXPKGKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5/c24-16-4-1-3-15(11-16)13-27-22-6-2-5-21(30-22)19-12-23(28-14-20(19)25)29-18-9-7-17(26)8-10-18/h1-6,11-12,14,17-18H,7-10,13,26H2,(H,27,30)(H,28,29).
What are the key properties of 4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 409.48 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-fluoro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 50907429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).