4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine

C17H17N7O — CID 71003559

IUPAC4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
SMILESCc1[nH]nc2cc(-c3[nH]nc4ncnc(N5CCOCC5)c34)ccc12
InChIInChI=1S/C17H17N7O/c1-10-12-3-2-11(8-13(12)21-20-10)15-14-16(23-22-15)18-9-19-17(14)24-4-6-25-7-5-24/h2-3,8-9H,4-7H2,1H3,(H,20,21)(H,18,19,22,23)
InChIKeyHYJYHKDLBFZXFK-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.04
Rot. Bonds2

About 4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine

4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine (PubChem CID 71003559) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
PubChem CID71003559
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine
SMILESCc1[nH]nc2cc(-c3[nH]nc4ncnc(N5CCOCC5)c34)ccc12
InChIInChI=1S/C17H17N7O/c1-10-12-3-2-11(8-13(12)21-20-10)15-14-16(23-22-15)18-9-19-17(14)24-4-6-25-7-5-24/h2-3,8-9H,4-7H2,1H3,(H,20,21)(H,18,19,22,23)
InChIKeyHYJYHKDLBFZXFK-UHFFFAOYSA-N
XLogP2.04
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine (CID 71003559) is 4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine is Cc1[nH]nc2cc(-c3[nH]nc4ncnc(N5CCOCC5)c34)ccc12.
What is the InChIKey of 4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine?
The InChIKey is HYJYHKDLBFZXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-10-12-3-2-11(8-13(12)21-20-10)15-14-16(23-22-15)18-9-19-17(14)24-4-6-25-7-5-24/h2-3,8-9H,4-7H2,1H3,(H,20,21)(H,18,19,22,23).
What are the key properties of 4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine?
4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine has a molecular weight of 335.37 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methyl-2H-indazol-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 71003559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).