4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine

C18H21N5O2 — CID 78321839

IUPAC4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1
InChIInChI=1S/C18H21N5O2/c1-12(2)25-13-3-4-15-14(9-13)18(22-21-15)16-10-17(20-11-19-16)23-5-7-24-8-6-23/h3-4,9-12H,5-8H2,1-2H3,(H,21,22)
InChIKeyNTIDXUFUHWYHOD-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.64
Rot. Bonds4

About 4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine

4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine (PubChem CID 78321839) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine
PubChem CID78321839
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1
InChIInChI=1S/C18H21N5O2/c1-12(2)25-13-3-4-15-14(9-13)18(22-21-15)16-10-17(20-11-19-16)23-5-7-24-8-6-23/h3-4,9-12H,5-8H2,1-2H3,(H,21,22)
InChIKeyNTIDXUFUHWYHOD-UHFFFAOYSA-N
XLogP2.64
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine (CID 78321839) is 4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine is CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1.
What is the InChIKey of 4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
The InChIKey is NTIDXUFUHWYHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(2)25-13-3-4-15-14(9-13)18(22-21-15)16-10-17(20-11-19-16)23-5-7-24-8-6-23/h3-4,9-12H,5-8H2,1-2H3,(H,21,22).
What are the key properties of 4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine?
4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine has a molecular weight of 339.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 78321839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).