(2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine

C20H24FN5O2 — CID 78323741

IUPAC(2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCC(C)Oc1cc2c(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)n[nH]c2cc1F
InChIInChI=1S/C20H24FN5O2/c1-11(2)27-18-5-14-16(6-15(18)21)24-25-20(14)17-7-19(23-10-22-17)26-8-12(3)28-13(4)9-26/h5-7,10-13H,8-9H2,1-4H3,(H,24,25)/t12-,13+
InChIKeyAOALIAVVGDNCRK-BETUJISGSA-N
MW385.44 g/mol
LogP3.56
Rot. Bonds4

About (2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine

(2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine (PubChem CID 78323741) has the molecular formula C20H24FN5O2 and a molecular weight of 385.44 g/mol. Its IUPAC name is (2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine
PubChem CID78323741
Molecular FormulaC20H24FN5O2
Molecular Weight385.44 g/mol
Exact Mass385.19
IUPAC Name(2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine
SMILESCC(C)Oc1cc2c(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)n[nH]c2cc1F
InChIInChI=1S/C20H24FN5O2/c1-11(2)27-18-5-14-16(6-15(18)21)24-25-20(14)17-7-19(23-10-22-17)26-8-12(3)28-13(4)9-26/h5-7,10-13H,8-9H2,1-4H3,(H,24,25)/t12-,13+
InChIKeyAOALIAVVGDNCRK-BETUJISGSA-N
XLogP3.56
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine (CID 78323741) is (2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine is CC(C)Oc1cc2c(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)n[nH]c2cc1F.
What is the InChIKey of (2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine?
The InChIKey is AOALIAVVGDNCRK-BETUJISGSA-N. The full InChI is InChI=1S/C20H24FN5O2/c1-11(2)27-18-5-14-16(6-15(18)21)24-25-20(14)17-7-19(23-10-22-17)26-8-12(3)28-13(4)9-26/h5-7,10-13H,8-9H2,1-4H3,(H,24,25)/t12-,13+.
What are the key properties of (2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine has a molecular weight of 385.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[6-(6-fluoro-5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 78323741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).