2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol

C19H17F3N4O — CID 169260425

IUPAC2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol
SMILESCC(Nc1cnc(-c2cncc(C(O)C(F)F)c2)cn1)c1ccc(F)cc1
InChIInChI=1S/C19H17F3N4O/c1-11(12-2-4-15(20)5-3-12)26-17-10-24-16(9-25-17)13-6-14(8-23-7-13)18(27)19(21)22/h2-11,18-19,27H,1H3,(H,25,26)
InChIKeyCLBPUDUMSUMKGX-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.15
Rot. Bonds6

About 2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol

2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol (PubChem CID 169260425) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol
PubChem CID169260425
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol
SMILESCC(Nc1cnc(-c2cncc(C(O)C(F)F)c2)cn1)c1ccc(F)cc1
InChIInChI=1S/C19H17F3N4O/c1-11(12-2-4-15(20)5-3-12)26-17-10-24-16(9-25-17)13-6-14(8-23-7-13)18(27)19(21)22/h2-11,18-19,27H,1H3,(H,25,26)
InChIKeyCLBPUDUMSUMKGX-UHFFFAOYSA-N
XLogP4.15
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol?
The IUPAC name of 2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol (CID 169260425) is 2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol.
What is the SMILES notation for 2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol?
The canonical SMILES for 2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol is CC(Nc1cnc(-c2cncc(C(O)C(F)F)c2)cn1)c1ccc(F)cc1.
What is the InChIKey of 2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol?
The InChIKey is CLBPUDUMSUMKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-11(12-2-4-15(20)5-3-12)26-17-10-24-16(9-25-17)13-6-14(8-23-7-13)18(27)19(21)22/h2-11,18-19,27H,1H3,(H,25,26).
What are the key properties of 2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol?
2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol has a molecular weight of 374.37 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[5-[5-[1-(4-fluorophenyl)ethylamino]pyrazin-2-yl]-3-pyridinyl]ethanol is sourced from PubChem (CID 169260425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).