3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol

C23H25FN6O2 — CID 11561164

IUPAC3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol
SMILESCC(C)Oc1ccc(Nc2nc(Nc3ccc4c(cnn4CCCO)c3)ncc2F)cc1
InChIInChI=1S/C23H25FN6O2/c1-15(2)32-19-7-4-17(5-8-19)27-22-20(24)14-25-23(29-22)28-18-6-9-21-16(12-18)13-26-30(21)10-3-11-31/h4-9,12-15,31H,3,10-11H2,1-2H3,(H2,25,27,28,29)
InChIKeyQVDZEVJCAOLGLZ-UHFFFAOYSA-N
MW436.49 g/mol
LogP4.62
Rot. Bonds9

About 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol

3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol (PubChem CID 11561164) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol
PubChem CID11561164
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol
SMILESCC(C)Oc1ccc(Nc2nc(Nc3ccc4c(cnn4CCCO)c3)ncc2F)cc1
InChIInChI=1S/C23H25FN6O2/c1-15(2)32-19-7-4-17(5-8-19)27-22-20(24)14-25-23(29-22)28-18-6-9-21-16(12-18)13-26-30(21)10-3-11-31/h4-9,12-15,31H,3,10-11H2,1-2H3,(H2,25,27,28,29)
InChIKeyQVDZEVJCAOLGLZ-UHFFFAOYSA-N
XLogP4.62
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol (CID 11561164) is 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol is CC(C)Oc1ccc(Nc2nc(Nc3ccc4c(cnn4CCCO)c3)ncc2F)cc1.
What is the InChIKey of 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol?
The InChIKey is QVDZEVJCAOLGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-15(2)32-19-7-4-17(5-8-19)27-22-20(24)14-25-23(29-22)28-18-6-9-21-16(12-18)13-26-30(21)10-3-11-31/h4-9,12-15,31H,3,10-11H2,1-2H3,(H2,25,27,28,29).
What are the key properties of 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol?
3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol has a molecular weight of 436.49 g/mol, XLogP of 4.62, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[5-fluoro-4-(4-propan-2-yloxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]propan-1-ol is sourced from PubChem (CID 11561164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).