4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine

C18H17N7O — CID 118930320

IUPAC4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)cc(-n2ncc3ccc(-c4cn[nH]c4)cc32)n1
InChIInChI=1S/C18H17N7O/c1-2-14-11-23-25(16(14)7-13(1)15-9-21-22-10-15)18-8-17(19-12-20-18)24-3-5-26-6-4-24/h1-2,7-12H,3-6H2,(H,21,22)
InChIKeyKNGUTNYGVVVVFR-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.04
Rot. Bonds3

About 4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine

4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 118930320) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine
PubChem CID118930320
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine
SMILESc1nc(N2CCOCC2)cc(-n2ncc3ccc(-c4cn[nH]c4)cc32)n1
InChIInChI=1S/C18H17N7O/c1-2-14-11-23-25(16(14)7-13(1)15-9-21-22-10-15)18-8-17(19-12-20-18)24-3-5-26-6-4-24/h1-2,7-12H,3-6H2,(H,21,22)
InChIKeyKNGUTNYGVVVVFR-UHFFFAOYSA-N
XLogP2.04
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine (CID 118930320) is 4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine is c1nc(N2CCOCC2)cc(-n2ncc3ccc(-c4cn[nH]c4)cc32)n1.
What is the InChIKey of 4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is KNGUTNYGVVVVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-2-14-11-23-25(16(14)7-13(1)15-9-21-22-10-15)18-8-17(19-12-20-18)24-3-5-26-6-4-24/h1-2,7-12H,3-6H2,(H,21,22).
What are the key properties of 4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 347.38 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(1H-pyrazol-4-yl)indazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 118930320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).