[4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol

C21H26ClF2N5O — CID 167426462

IUPAC[4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(Cl)ncc2-c2cnc(N3CCC(F)(F)CC3)cn2)CC1
InChIInChI=1S/C21H26ClF2N5O/c22-19-9-17(28-15-3-1-14(13-30)2-4-15)16(10-26-19)18-11-27-20(12-25-18)29-7-5-21(23,24)6-8-29/h9-12,14-15,30H,1-8,13H2,(H,26,28)
InChIKeyOESFJVHYGIXEQI-UHFFFAOYSA-N
MW437.92 g/mol
LogP4.39
Rot. Bonds5

About [4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol

[4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol (PubChem CID 167426462) has the molecular formula C21H26ClF2N5O and a molecular weight of 437.92 g/mol. Its IUPAC name is [4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol
PubChem CID167426462
Molecular FormulaC21H26ClF2N5O
Molecular Weight437.92 g/mol
Exact Mass437.18
IUPAC Name[4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol
SMILESOCC1CCC(Nc2cc(Cl)ncc2-c2cnc(N3CCC(F)(F)CC3)cn2)CC1
InChIInChI=1S/C21H26ClF2N5O/c22-19-9-17(28-15-3-1-14(13-30)2-4-15)16(10-26-19)18-11-27-20(12-25-18)29-7-5-21(23,24)6-8-29/h9-12,14-15,30H,1-8,13H2,(H,26,28)
InChIKeyOESFJVHYGIXEQI-UHFFFAOYSA-N
XLogP4.39
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.92
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The IUPAC name of [4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol (CID 167426462) is [4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol.
What is the SMILES notation for [4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The canonical SMILES for [4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol is OCC1CCC(Nc2cc(Cl)ncc2-c2cnc(N3CCC(F)(F)CC3)cn2)CC1.
What is the InChIKey of [4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
The InChIKey is OESFJVHYGIXEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClF2N5O/c22-19-9-17(28-15-3-1-14(13-30)2-4-15)16(10-26-19)18-11-27-20(12-25-18)29-7-5-21(23,24)6-8-29/h9-12,14-15,30H,1-8,13H2,(H,26,28).
What are the key properties of [4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol?
[4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol has a molecular weight of 437.92 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-chloro-5-[5-(4,4-difluoropiperidin-1-yl)pyrazin-2-yl]-4-pyridinyl]amino]cyclohexyl]methanol is sourced from PubChem (CID 167426462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).