(1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol

C26H33N5O2 — CID 166627524

IUPAC(1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cccc(N5CCOCC5)c4)cc3n2)CC1
InChIInChI=1S/C26H33N5O2/c1-26(32,20-8-10-30(2)11-9-20)24-7-6-19-18-27-25(17-23(19)29-24)28-21-4-3-5-22(16-21)31-12-14-33-15-13-31/h3-7,16-18,20,32H,8-15H2,1-2H3,(H,27,28)/t26-/m1/s1
InChIKeyFOVGCCXTKLODIJ-AREMUKBSSA-N
MW447.58 g/mol
LogP3.76
Rot. Bonds5

About (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol

(1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol (PubChem CID 166627524) has the molecular formula C26H33N5O2 and a molecular weight of 447.58 g/mol. Its IUPAC name is (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol
PubChem CID166627524
Molecular FormulaC26H33N5O2
Molecular Weight447.58 g/mol
Exact Mass447.26
IUPAC Name(1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cccc(N5CCOCC5)c4)cc3n2)CC1
InChIInChI=1S/C26H33N5O2/c1-26(32,20-8-10-30(2)11-9-20)24-7-6-19-18-27-25(17-23(19)29-24)28-21-4-3-5-22(16-21)31-12-14-33-15-13-31/h3-7,16-18,20,32H,8-15H2,1-2H3,(H,27,28)/t26-/m1/s1
InChIKeyFOVGCCXTKLODIJ-AREMUKBSSA-N
XLogP3.76
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol with MolForge

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Related Compounds

(1R)-1-[7-[(2-fluoranyl-4-pyrazol-1-yl-phenyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 162439820
5-fluoranyl-4-[[2-[(1R)-1-(1-methylpiperidin-4-yl)-1-oxidanyl-ethyl]-1,6-naphthyridin-7-yl]amino]-2-morpholin-4-yl-benzenecarbonitrile
CID 162640251
(R)-1-(7-((5-Fluoro-2-(trifluoromethyl)pyridin-4-yl)amino)-1,6-naphthyridin-2-yl)-1-(1-methylpiperidin-4-yl)ethanol
CID 162439673
(3-((2-(3,5-Dimorpholinophenylamino)pyrimidin-4-yl)(methyl)amino)-4-methylphenyl)methanol
CID 24894017
Cdk5-IN-3
CID 156212722
(1R)-1-[7-[(5-fluoro-2-morpholin-4-yl-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166628927
Cdk5-IN-2
CID 163196445
5-fluoro-4-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzonitrile
CID 166625947
(1R)-1-[7-(2-fluoro-4-methylsulfonylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166626178
(1R)-1-[7-(2-fluoro-5-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166627311
5-fluoro-4-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]-2-propan-2-ylbenzonitrile
CID 166629073
(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
CID 166631508

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol?
The IUPAC name of (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol (CID 166627524) is (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol.
What is the SMILES notation for (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol?
The canonical SMILES for (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol is CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cccc(N5CCOCC5)c4)cc3n2)CC1.
What is the InChIKey of (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol?
The InChIKey is FOVGCCXTKLODIJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H33N5O2/c1-26(32,20-8-10-30(2)11-9-20)24-7-6-19-18-27-25(17-23(19)29-24)28-21-4-3-5-22(16-21)31-12-14-33-15-13-31/h3-7,16-18,20,32H,8-15H2,1-2H3,(H,27,28)/t26-/m1/s1.
What are the key properties of (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol?
(1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol has a molecular weight of 447.58 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-methylpiperidin-4-yl)-1-[7-(3-morpholin-4-ylanilino)-1,6-naphthyridin-2-yl]ethanol is sourced from PubChem (CID 166627524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).