(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

C26H29FN6O2 — CID 166631508

IUPAC(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4ccc(-n5ccc(CO)n5)cc4F)cc3n2)CC1
InChIInChI=1S/C26H29FN6O2/c1-26(35,18-7-10-32(2)11-8-18)24-6-3-17-15-28-25(14-23(17)29-24)30-22-5-4-20(13-21(22)27)33-12-9-19(16-34)31-33/h3-6,9,12-15,18,34-35H,7-8,10-11,16H2,1-2H3,(H,28,30)/t26-/m1/s1
InChIKeyIQFRBBNJBIHVDS-AREMUKBSSA-N
MW476.56 g/mol
LogP3.74
Rot. Bonds6

About (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol

(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol (PubChem CID 166631508) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
PubChem CID166631508
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol
SMILESCN1CCC([C@@](C)(O)c2ccc3cnc(Nc4ccc(-n5ccc(CO)n5)cc4F)cc3n2)CC1
InChIInChI=1S/C26H29FN6O2/c1-26(35,18-7-10-32(2)11-8-18)24-6-3-17-15-28-25(14-23(17)29-24)30-22-5-4-20(13-21(22)27)33-12-9-19(16-34)31-33/h3-6,9,12-15,18,34-35H,7-8,10-11,16H2,1-2H3,(H,28,30)/t26-/m1/s1
InChIKeyIQFRBBNJBIHVDS-AREMUKBSSA-N
XLogP3.74
TPSA99.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The IUPAC name of (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) is (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol.
What is the SMILES notation for (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The canonical SMILES for (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is CN1CCC([C@@](C)(O)c2ccc3cnc(Nc4ccc(-n5ccc(CO)n5)cc4F)cc3n2)CC1.
What is the InChIKey of (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
The InChIKey is IQFRBBNJBIHVDS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-26(35,18-7-10-32(2)11-8-18)24-6-3-17-15-28-25(14-23(17)29-24)30-22-5-4-20(13-21(22)27)33-12-9-19(16-34)31-33/h3-6,9,12-15,18,34-35H,7-8,10-11,16H2,1-2H3,(H,28,30)/t26-/m1/s1.
What are the key properties of (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol?
(1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol has a molecular weight of 476.56 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[7-[2-fluoro-4-[3-(hydroxymethyl)pyrazol-1-yl]anilino]-1,6-naphthyridin-2-yl]-1-(1-methylpiperidin-4-yl)ethanol is sourced from PubChem (CID 166631508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).