4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine

C20H32FN5O3 — CID 134822943

IUPAC4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2cc(C3NNC4CC(F)C(OC(C)C)CC43)ncn2)CCO1
InChIInChI=1S/C20H32FN5O3/c1-12(2)29-18-6-14-16(7-15(18)21)24-25-20(14)17-8-19(23-11-22-17)26-4-5-28-13(9-26)10-27-3/h8,11-16,18,20,24-25H,4-7,9-10H2,1-3H3
InChIKeyLHXMQPVJADGVJL-UHFFFAOYSA-N
MW409.51 g/mol
LogP1.39
Rot. Bonds6

About 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine

4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine (PubChem CID 134822943) has the molecular formula C20H32FN5O3 and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine.

Molecular Properties

Compound Name4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine
PubChem CID134822943
Molecular FormulaC20H32FN5O3
Molecular Weight409.51 g/mol
Exact Mass409.25
IUPAC Name4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine
SMILESCOCC1CN(c2cc(C3NNC4CC(F)C(OC(C)C)CC43)ncn2)CCO1
InChIInChI=1S/C20H32FN5O3/c1-12(2)29-18-6-14-16(7-15(18)21)24-25-20(14)17-8-19(23-11-22-17)26-4-5-28-13(9-26)10-27-3/h8,11-16,18,20,24-25H,4-7,9-10H2,1-3H3
InChIKeyLHXMQPVJADGVJL-UHFFFAOYSA-N
XLogP1.39
TPSA80.77 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine?
The IUPAC name of 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine (CID 134822943) is 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine.
What is the SMILES notation for 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine?
The canonical SMILES for 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine is COCC1CN(c2cc(C3NNC4CC(F)C(OC(C)C)CC43)ncn2)CCO1.
What is the InChIKey of 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine?
The InChIKey is LHXMQPVJADGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN5O3/c1-12(2)29-18-6-14-16(7-15(18)21)24-25-20(14)17-8-19(23-11-22-17)26-4-5-28-13(9-26)10-27-3/h8,11-16,18,20,24-25H,4-7,9-10H2,1-3H3.
What are the key properties of 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine?
4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine has a molecular weight of 409.51 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-fluoro-5-propan-2-yloxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl)pyrimidin-4-yl]-2-(methoxymethyl)morpholine is sourced from PubChem (CID 134822943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).