[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol

C21H19ClF2N4O — CID 143313324

IUPAC[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C21H19ClF2N4O/c22-17-10-25-6-3-15(17)21-20(16-2-1-14(23)9-18(16)24)26-11-19(27-21)28-7-4-13(12-29)5-8-28/h1-3,6,9-11,13,29H,4-5,7-8,12H2
InChIKeyYCJLCLHOAFLBSD-UHFFFAOYSA-N
MW416.86 g/mol
LogP4.35
Rot. Bonds4

About [1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol

[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol (PubChem CID 143313324) has the molecular formula C21H19ClF2N4O and a molecular weight of 416.86 g/mol. Its IUPAC name is [1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol
PubChem CID143313324
Molecular FormulaC21H19ClF2N4O
Molecular Weight416.86 g/mol
Exact Mass416.12
IUPAC Name[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol
SMILESOCC1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C21H19ClF2N4O/c22-17-10-25-6-3-15(17)21-20(16-2-1-14(23)9-18(16)24)26-11-19(27-21)28-7-4-13(12-29)5-8-28/h1-3,6,9-11,13,29H,4-5,7-8,12H2
InChIKeyYCJLCLHOAFLBSD-UHFFFAOYSA-N
XLogP4.35
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol (CID 143313324) is [1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol is OCC1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol?
The InChIKey is YCJLCLHOAFLBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O/c22-17-10-25-6-3-15(17)21-20(16-2-1-14(23)9-18(16)24)26-11-19(27-21)28-7-4-13(12-29)5-8-28/h1-3,6,9-11,13,29H,4-5,7-8,12H2.
What are the key properties of [1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol?
[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol has a molecular weight of 416.86 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 143313324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).