3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol

C20H19FN6O2 — CID 11538451

IUPAC3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol
SMILESOCCCn1ncc2ccc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)cc21
InChIInChI=1S/C20H19FN6O2/c21-17-12-22-20(26-19(17)24-14-3-1-4-16(29)9-14)25-15-6-5-13-11-23-27(7-2-8-28)18(13)10-15/h1,3-6,9-12,28-29H,2,7-8H2,(H2,22,24,25,26)
InChIKeyGBLOYDFOXLQLIP-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.54
Rot. Bonds7

About 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol

3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol (PubChem CID 11538451) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol
PubChem CID11538451
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol
SMILESOCCCn1ncc2ccc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)cc21
InChIInChI=1S/C20H19FN6O2/c21-17-12-22-20(26-19(17)24-14-3-1-4-16(29)9-14)25-15-6-5-13-11-23-27(7-2-8-28)18(13)10-15/h1,3-6,9-12,28-29H,2,7-8H2,(H2,22,24,25,26)
InChIKeyGBLOYDFOXLQLIP-UHFFFAOYSA-N
XLogP3.54
TPSA108.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol (CID 11538451) is 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol is OCCCn1ncc2ccc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)cc21.
What is the InChIKey of 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol?
The InChIKey is GBLOYDFOXLQLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-17-12-22-20(26-19(17)24-14-3-1-4-16(29)9-14)25-15-6-5-13-11-23-27(7-2-8-28)18(13)10-15/h1,3-6,9-12,28-29H,2,7-8H2,(H2,22,24,25,26).
What are the key properties of 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol?
3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol has a molecular weight of 394.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 11538451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).