(1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

C22H25FN4O — CID 166626052

IUPAC(1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4ccccc4F)cc3n2)CC1
InChIInChI=1S/C22H25FN4O/c1-22(28,16-9-11-27(2)12-10-16)20-8-7-15-14-24-21(13-19(15)25-20)26-18-6-4-3-5-17(18)23/h3-8,13-14,16,28H,9-12H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeySTFCTZRFHURCAL-JOCHJYFZSA-N
MW380.47 g/mol
LogP4.06
Rot. Bonds4

About (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

(1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 166626052) has the molecular formula C22H25FN4O and a molecular weight of 380.47 g/mol. Its IUPAC name is (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID166626052
Molecular FormulaC22H25FN4O
Molecular Weight380.47 g/mol
Exact Mass380.20
IUPAC Name(1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4ccccc4F)cc3n2)CC1
InChIInChI=1S/C22H25FN4O/c1-22(28,16-9-11-27(2)12-10-16)20-8-7-15-14-24-21(13-19(15)25-20)26-18-6-4-3-5-17(18)23/h3-8,13-14,16,28H,9-12H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKeySTFCTZRFHURCAL-JOCHJYFZSA-N
XLogP4.06
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (CID 166626052) is (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4ccccc4F)cc3n2)CC1.
What is the InChIKey of (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is STFCTZRFHURCAL-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25FN4O/c1-22(28,16-9-11-27(2)12-10-16)20-8-7-15-14-24-21(13-19(15)25-20)26-18-6-4-3-5-17(18)23/h3-8,13-14,16,28H,9-12H2,1-2H3,(H,24,26)/t22-/m1/s1.
What are the key properties of (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
(1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 380.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-(2-fluoroanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 166626052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).