(1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

C26H32FN5O2 — CID 166627311

IUPAC(1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCOCC5)ccc4F)cc3n2)CC1
InChIInChI=1S/C26H32FN5O2/c1-26(33,19-7-9-31(2)10-8-19)24-6-3-18-17-28-25(16-22(18)29-24)30-23-15-20(4-5-21(23)27)32-11-13-34-14-12-32/h3-6,15-17,19,33H,7-14H2,1-2H3,(H,28,30)/t26-/m1/s1
InChIKeyLUWQTRGZKXLDSO-AREMUKBSSA-N
MW465.57 g/mol
LogP3.90
Rot. Bonds5

About (1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

(1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 166627311) has the molecular formula C26H32FN5O2 and a molecular weight of 465.57 g/mol. Its IUPAC name is (1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID166627311
Molecular FormulaC26H32FN5O2
Molecular Weight465.57 g/mol
Exact Mass465.25
IUPAC Name(1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCOCC5)ccc4F)cc3n2)CC1
InChIInChI=1S/C26H32FN5O2/c1-26(33,19-7-9-31(2)10-8-19)24-6-3-18-17-28-25(16-22(18)29-24)30-23-15-20(4-5-21(23)27)32-11-13-34-14-12-32/h3-6,15-17,19,33H,7-14H2,1-2H3,(H,28,30)/t26-/m1/s1
InChIKeyLUWQTRGZKXLDSO-AREMUKBSSA-N
XLogP3.90
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of (1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (CID 166627311) is (1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for (1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(N5CCOCC5)ccc4F)cc3n2)CC1.
What is the InChIKey of (1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is LUWQTRGZKXLDSO-AREMUKBSSA-N. The full InChI is InChI=1S/C26H32FN5O2/c1-26(33,19-7-9-31(2)10-8-19)24-6-3-18-17-28-25(16-22(18)29-24)30-23-15-20(4-5-21(23)27)32-11-13-34-14-12-32/h3-6,15-17,19,33H,7-14H2,1-2H3,(H,28,30)/t26-/m1/s1.
What are the key properties of (1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
(1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 465.57 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 166627311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).