[1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol

C24H25FN6O2 — CID 166636193

IUPAC[1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
SMILESCN1CCC(Oc2ccc3cnc(Nc4ccc(-n5ccc(CO)n5)cc4F)cc3n2)CC1
InChIInChI=1S/C24H25FN6O2/c1-30-9-7-19(8-10-30)33-24-5-2-16-14-26-23(13-22(16)28-24)27-21-4-3-18(12-20(21)25)31-11-6-17(15-32)29-31/h2-6,11-14,19,32H,7-10,15H2,1H3,(H,26,27)
InChIKeyWADWOQCKXASRGQ-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.66
Rot. Bonds6

About [1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol

[1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol (PubChem CID 166636193) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is [1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
PubChem CID166636193
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name[1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol
SMILESCN1CCC(Oc2ccc3cnc(Nc4ccc(-n5ccc(CO)n5)cc4F)cc3n2)CC1
InChIInChI=1S/C24H25FN6O2/c1-30-9-7-19(8-10-30)33-24-5-2-16-14-26-23(13-22(16)28-24)27-21-4-3-18(12-20(21)25)31-11-6-17(15-32)29-31/h2-6,11-14,19,32H,7-10,15H2,1H3,(H,26,27)
InChIKeyWADWOQCKXASRGQ-UHFFFAOYSA-N
XLogP3.66
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol?
The IUPAC name of [1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol (CID 166636193) is [1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol is CN1CCC(Oc2ccc3cnc(Nc4ccc(-n5ccc(CO)n5)cc4F)cc3n2)CC1.
What is the InChIKey of [1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol?
The InChIKey is WADWOQCKXASRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-30-9-7-19(8-10-30)33-24-5-2-16-14-26-23(13-22(16)28-24)27-21-4-3-18(12-20(21)25)31-11-6-17(15-32)29-31/h2-6,11-14,19,32H,7-10,15H2,1H3,(H,26,27).
What are the key properties of [1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol?
[1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol has a molecular weight of 448.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-fluoro-4-[[2-(1-methylpiperidin-4-yl)oxy-1,6-naphthyridin-7-yl]amino]phenyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 166636193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).