N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine

C18H20FN5O — CID 138648769

IUPACN-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine
SMILESCCNc1nccc(-c2cc(F)c3c(cnn3C3CCCCO3)c2)n1
InChIInChI=1S/C18H20FN5O/c1-2-20-18-21-7-6-15(23-18)12-9-13-11-22-24(17(13)14(19)10-12)16-5-3-4-8-25-16/h6-7,9-11,16H,2-5,8H2,1H3,(H,20,21,23)
InChIKeyZXEXWNYSOMKIPU-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.76
Rot. Bonds4

About N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine

N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine (PubChem CID 138648769) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine
PubChem CID138648769
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC NameN-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine
SMILESCCNc1nccc(-c2cc(F)c3c(cnn3C3CCCCO3)c2)n1
InChIInChI=1S/C18H20FN5O/c1-2-20-18-21-7-6-15(23-18)12-9-13-11-22-24(17(13)14(19)10-12)16-5-3-4-8-25-16/h6-7,9-11,16H,2-5,8H2,1H3,(H,20,21,23)
InChIKeyZXEXWNYSOMKIPU-UHFFFAOYSA-N
XLogP3.76
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine (CID 138648769) is N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine is CCNc1nccc(-c2cc(F)c3c(cnn3C3CCCCO3)c2)n1.
What is the InChIKey of N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine?
The InChIKey is ZXEXWNYSOMKIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-2-20-18-21-7-6-15(23-18)12-9-13-11-22-24(17(13)14(19)10-12)16-5-3-4-8-25-16/h6-7,9-11,16H,2-5,8H2,1H3,(H,20,21,23).
What are the key properties of N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine?
N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine has a molecular weight of 341.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[7-fluoro-1-(oxan-2-yl)indazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 138648769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).