4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol

C24H32Cl2N4O2 — CID 50907435

IUPAC4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCC1(C)CC(CNc2ccc(Cl)c(-c3cc(NC4CCC(O)CC4)ncc3Cl)n2)CCO1
InChIInChI=1S/C24H32Cl2N4O2/c1-24(2)12-15(9-10-32-24)13-27-21-8-7-19(25)23(30-21)18-11-22(28-14-20(18)26)29-16-3-5-17(31)6-4-16/h7-8,11,14-17,31H,3-6,9-10,12-13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyFVWUIZMDTDYWLC-UHFFFAOYSA-N
MW479.45 g/mol
LogP5.78
Rot. Bonds6

About 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol

4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 50907435) has the molecular formula C24H32Cl2N4O2 and a molecular weight of 479.45 g/mol. Its IUPAC name is 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID50907435
Molecular FormulaC24H32Cl2N4O2
Molecular Weight479.45 g/mol
Exact Mass478.19
IUPAC Name4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCC1(C)CC(CNc2ccc(Cl)c(-c3cc(NC4CCC(O)CC4)ncc3Cl)n2)CCO1
InChIInChI=1S/C24H32Cl2N4O2/c1-24(2)12-15(9-10-32-24)13-27-21-8-7-19(25)23(30-21)18-11-22(28-14-20(18)26)29-16-3-5-17(31)6-4-16/h7-8,11,14-17,31H,3-6,9-10,12-13H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyFVWUIZMDTDYWLC-UHFFFAOYSA-N
XLogP5.78
TPSA79.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.45
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol (CID 50907435) is 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol is CC1(C)CC(CNc2ccc(Cl)c(-c3cc(NC4CCC(O)CC4)ncc3Cl)n2)CCO1.
What is the InChIKey of 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is FVWUIZMDTDYWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32Cl2N4O2/c1-24(2)12-15(9-10-32-24)13-27-21-8-7-19(25)23(30-21)18-11-22(28-14-20(18)26)29-16-3-5-17(31)6-4-16/h7-8,11,14-17,31H,3-6,9-10,12-13H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 479.45 g/mol, XLogP of 5.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 50907435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).