(1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

C25H30FN5O2 — CID 166634189

IUPAC(1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(OC5CCC5)ncc4F)cc3n2)CC1
InChIInChI=1S/C25H30FN5O2/c1-25(32,17-8-10-31(2)11-9-17)22-7-6-16-14-27-23(12-20(16)29-22)30-21-13-24(28-15-19(21)26)33-18-4-3-5-18/h6-7,12-15,17-18,32H,3-5,8-11H2,1-2H3,(H,27,28,30)/t25-/m1/s1
InChIKeyCLCKDDAPJRHFEN-RUZDIDTESA-N
MW451.55 g/mol
LogP4.39
Rot. Bonds6

About (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

(1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 166634189) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID166634189
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name(1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(OC5CCC5)ncc4F)cc3n2)CC1
InChIInChI=1S/C25H30FN5O2/c1-25(32,17-8-10-31(2)11-9-17)22-7-6-16-14-27-23(12-20(16)29-22)30-21-13-24(28-15-19(21)26)33-18-4-3-5-18/h6-7,12-15,17-18,32H,3-5,8-11H2,1-2H3,(H,27,28,30)/t25-/m1/s1
InChIKeyCLCKDDAPJRHFEN-RUZDIDTESA-N
XLogP4.39
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol with MolForge

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Related Compounds

CID 44521022
CID 44521022
CID 162439673
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CID 71766886
CID 71766886
CID 166628927
CID 166628927
CID 166627311
CID 166627311
CID 166629066
CID 166629066
CID 166631779
CID 166631779
CID 166632020
CID 166632020
CID 166632368
CID 166632368
CID 66556032
CID 66556032
CID 66556365
CID 66556365
CID 118869331
CID 118869331

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (CID 166634189) is (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4cc(OC5CCC5)ncc4F)cc3n2)CC1.
What is the InChIKey of (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is CLCKDDAPJRHFEN-RUZDIDTESA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-25(32,17-8-10-31(2)11-9-17)22-7-6-16-14-27-23(12-20(16)29-22)30-21-13-24(28-15-19(21)26)33-18-4-3-5-18/h6-7,12-15,17-18,32H,3-5,8-11H2,1-2H3,(H,27,28,30)/t25-/m1/s1.
What are the key properties of (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
(1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 451.55 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-[(2-cyclobutyloxy-5-fluoro-4-pyridinyl)amino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 166634189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).