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

C25H31FN4O2 — CID 166629066

IUPAC(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCC(C)Oc1ccc(F)c(Nc2cc3nc([C@](C)(O)C4CCN(C)CC4)ccc3cn2)c1
InChIInChI=1S/C25H31FN4O2/c1-16(2)32-19-6-7-20(26)22(13-19)29-24-14-21-17(15-27-24)5-8-23(28-21)25(3,31)18-9-11-30(4)12-10-18/h5-8,13-16,18,31H,9-12H2,1-4H3,(H,27,29)/t25-/m1/s1
InChIKeyOUCDNSRNVVOKPA-RUZDIDTESA-N
MW438.55 g/mol
LogP4.85
Rot. Bonds6

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

(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 166629066) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is (1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID166629066
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCC(C)Oc1ccc(F)c(Nc2cc3nc([C@](C)(O)C4CCN(C)CC4)ccc3cn2)c1
InChIInChI=1S/C25H31FN4O2/c1-16(2)32-19-6-7-20(26)22(13-19)29-24-14-21-17(15-27-24)5-8-23(28-21)25(3,31)18-9-11-30(4)12-10-18/h5-8,13-16,18,31H,9-12H2,1-4H3,(H,27,29)/t25-/m1/s1
InChIKeyOUCDNSRNVVOKPA-RUZDIDTESA-N
XLogP4.85
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of (1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (CID 166629066) is (1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for (1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is CC(C)Oc1ccc(F)c(Nc2cc3nc([C@](C)(O)C4CCN(C)CC4)ccc3cn2)c1.
What is the InChIKey of (1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is OUCDNSRNVVOKPA-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-16(2)32-19-6-7-20(26)22(13-19)29-24-14-21-17(15-27-24)5-8-23(28-21)25(3,31)18-9-11-30(4)12-10-18/h5-8,13-16,18,31H,9-12H2,1-4H3,(H,27,29)/t25-/m1/s1.
What are the key properties of (1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
(1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 438.55 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-(2-fluoro-5-propan-2-yloxyanilino)-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 166629066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).