4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one

C21H20FN5O2 — CID 25122088

IUPAC4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one
SMILESCC(C)COc1cc(F)ccc1-c1cc(-c2ccc3[nH]nc(N)c3c2)nc(=O)[nH]1
InChIInChI=1S/C21H20FN5O2/c1-11(2)10-29-19-8-13(22)4-5-14(19)18-9-17(24-21(28)25-18)12-3-6-16-15(7-12)20(23)27-26-16/h3-9,11H,10H2,1-2H3,(H3,23,26,27)(H,24,25,28)
InChIKeyJZBXDCDCIASQOU-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.74
Rot. Bonds5

About 4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one

4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one (PubChem CID 25122088) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one
PubChem CID25122088
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one
SMILESCC(C)COc1cc(F)ccc1-c1cc(-c2ccc3[nH]nc(N)c3c2)nc(=O)[nH]1
InChIInChI=1S/C21H20FN5O2/c1-11(2)10-29-19-8-13(22)4-5-14(19)18-9-17(24-21(28)25-18)12-3-6-16-15(7-12)20(23)27-26-16/h3-9,11H,10H2,1-2H3,(H3,23,26,27)(H,24,25,28)
InChIKeyJZBXDCDCIASQOU-UHFFFAOYSA-N
XLogP3.74
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one?
The IUPAC name of 4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one (CID 25122088) is 4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one is CC(C)COc1cc(F)ccc1-c1cc(-c2ccc3[nH]nc(N)c3c2)nc(=O)[nH]1.
What is the InChIKey of 4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one?
The InChIKey is JZBXDCDCIASQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-11(2)10-29-19-8-13(22)4-5-14(19)18-9-17(24-21(28)25-18)12-3-6-16-15(7-12)20(23)27-26-16/h3-9,11H,10H2,1-2H3,(H3,23,26,27)(H,24,25,28).
What are the key properties of 4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one?
4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one has a molecular weight of 393.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1H-indazol-5-yl)-6-[4-fluoro-2-(2-methylpropoxy)phenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 25122088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).