2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol

C23H17FN6O — CID 53345934

IUPAC2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)n2)cn1
InChIInChI=1S/C23H17FN6O/c24-19-6-2-1-4-17(19)20-10-18(16-5-3-7-26-23(16)29-20)22-13-25-12-21(28-22)15-11-27-30(14-15)8-9-31/h1-7,10-14,31H,8-9H2
InChIKeySMDXICSTZXNHTF-UHFFFAOYSA-N
MW412.43 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol

2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol (PubChem CID 53345934) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is 2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol
PubChem CID53345934
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC Name2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)n2)cn1
InChIInChI=1S/C23H17FN6O/c24-19-6-2-1-4-17(19)20-10-18(16-5-3-7-26-23(16)29-20)22-13-25-12-21(28-22)15-11-27-30(14-15)8-9-31/h1-7,10-14,31H,8-9H2
InChIKeySMDXICSTZXNHTF-UHFFFAOYSA-N
XLogP3.75
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol (CID 53345934) is 2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol is OCCn1cc(-c2cncc(-c3cc(-c4ccccc4F)nc4ncccc34)n2)cn1.
What is the InChIKey of 2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol?
The InChIKey is SMDXICSTZXNHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O/c24-19-6-2-1-4-17(19)20-10-18(16-5-3-7-26-23(16)29-20)22-13-25-12-21(28-22)15-11-27-30(14-15)8-9-31/h1-7,10-14,31H,8-9H2.
What are the key properties of 2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol?
2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol has a molecular weight of 412.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]pyrazin-2-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 53345934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).