[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol

C24H26ClFN4O — CID 66937053

IUPAC[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H26ClFN4O/c25-21-14-28-24(29-19-9-7-16(15-31)8-10-19)12-20(21)22-5-2-6-23(30-22)27-13-17-3-1-4-18(26)11-17/h1-6,11-12,14,16,19,31H,7-10,13,15H2,(H,27,30)(H,28,29)
InChIKeyUDRZVJAHHQGSBI-UHFFFAOYSA-N
MW440.95 g/mol
LogP5.51
Rot. Bonds7

About [4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol

[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 66937053) has the molecular formula C24H26ClFN4O and a molecular weight of 440.95 g/mol. Its IUPAC name is [4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol
PubChem CID66937053
Molecular FormulaC24H26ClFN4O
Molecular Weight440.95 g/mol
Exact Mass440.18
IUPAC Name[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1
InChIInChI=1S/C24H26ClFN4O/c25-21-14-28-24(29-19-9-7-16(15-31)8-10-19)12-20(21)22-5-2-6-23(30-22)27-13-17-3-1-4-18(26)11-17/h1-6,11-12,14,16,19,31H,7-10,13,15H2,(H,27,30)(H,28,29)
InChIKeyUDRZVJAHHQGSBI-UHFFFAOYSA-N
XLogP5.51
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol (CID 66937053) is [4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol is OCC1CCC(Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1.
What is the InChIKey of [4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is UDRZVJAHHQGSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O/c25-21-14-28-24(29-19-9-7-16(15-31)8-10-19)12-20(21)22-5-2-6-23(30-22)27-13-17-3-1-4-18(26)11-17/h1-6,11-12,14,16,19,31H,7-10,13,15H2,(H,27,30)(H,28,29).
What are the key properties of [4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol?
[4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 440.95 g/mol, XLogP of 5.51, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 66937053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).