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

C15H14ClN5O — CID 59834313

IUPAC4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine
SMILESClc1ccccc1-c1[nH]nc2nc(N3CCOCC3)ncc12
InChIInChI=1S/C15H14ClN5O/c16-12-4-2-1-3-10(12)13-11-9-17-15(18-14(11)20-19-13)21-5-7-22-8-6-21/h1-4,9H,5-8H2,(H,17,18,19,20)
InChIKeyUSBZIAYNEQKDTH-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.51
Rot. Bonds2

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

4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine (PubChem CID 59834313) has the molecular formula C15H14ClN5O and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine.

Molecular Properties

Compound Name4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine
PubChem CID59834313
Molecular FormulaC15H14ClN5O
Molecular Weight315.76 g/mol
Exact Mass315.09
IUPAC Name4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine
SMILESClc1ccccc1-c1[nH]nc2nc(N3CCOCC3)ncc12
InChIInChI=1S/C15H14ClN5O/c16-12-4-2-1-3-10(12)13-11-9-17-15(18-14(11)20-19-13)21-5-7-22-8-6-21/h1-4,9H,5-8H2,(H,17,18,19,20)
InChIKeyUSBZIAYNEQKDTH-UHFFFAOYSA-N
XLogP2.51
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine?
The IUPAC name of 4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine (CID 59834313) is 4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine.
What is the SMILES notation for 4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine?
The canonical SMILES for 4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine is Clc1ccccc1-c1[nH]nc2nc(N3CCOCC3)ncc12.
What is the InChIKey of 4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine?
The InChIKey is USBZIAYNEQKDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN5O/c16-12-4-2-1-3-10(12)13-11-9-17-15(18-14(11)20-19-13)21-5-7-22-8-6-21/h1-4,9H,5-8H2,(H,17,18,19,20).
What are the key properties of 4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine?
4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine has a molecular weight of 315.76 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]morpholine is sourced from PubChem (CID 59834313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).