4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine

C21H20N6O2 — CID 53326947

IUPAC4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine
SMILESc1ccc(COc2nc(-c3cccc4[nH]ncc34)cc(N3CCOCC3)n2)nc1
InChIInChI=1S/C21H20N6O2/c1-2-7-22-15(4-1)14-29-21-24-19(12-20(25-21)27-8-10-28-11-9-27)16-5-3-6-18-17(16)13-23-26-18/h1-7,12-13H,8-11,14H2,(H,23,26)
InChIKeyYWFIUNNXPYDNPB-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.83
Rot. Bonds5

About 4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine

4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine (PubChem CID 53326947) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine
PubChem CID53326947
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine
SMILESc1ccc(COc2nc(-c3cccc4[nH]ncc34)cc(N3CCOCC3)n2)nc1
InChIInChI=1S/C21H20N6O2/c1-2-7-22-15(4-1)14-29-21-24-19(12-20(25-21)27-8-10-28-11-9-27)16-5-3-6-18-17(16)13-23-26-18/h1-7,12-13H,8-11,14H2,(H,23,26)
InChIKeyYWFIUNNXPYDNPB-UHFFFAOYSA-N
XLogP2.83
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine (CID 53326947) is 4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine is c1ccc(COc2nc(-c3cccc4[nH]ncc34)cc(N3CCOCC3)n2)nc1.
What is the InChIKey of 4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine?
The InChIKey is YWFIUNNXPYDNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-2-7-22-15(4-1)14-29-21-24-19(12-20(25-21)27-8-10-28-11-9-27)16-5-3-6-18-17(16)13-23-26-18/h1-7,12-13H,8-11,14H2,(H,23,26).
What are the key properties of 4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine?
4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine has a molecular weight of 388.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1H-indazol-4-yl)-2-(pyridin-2-ylmethoxy)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 53326947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).