1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H19ClN6O — CID 1307598

IUPAC1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C17H19ClN6O/c18-13-1-3-14(4-2-13)24-17-15(11-22-24)16(20-12-21-17)19-5-6-23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,19,20,21)
InChIKeyALPSMPXMGQWGAF-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.21
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 1307598) has the molecular formula C17H19ClN6O and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID1307598
Molecular FormulaC17H19ClN6O
Molecular Weight358.83 g/mol
Exact Mass358.13
IUPAC Name1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C17H19ClN6O/c18-13-1-3-14(4-2-13)24-17-15(11-22-24)16(20-12-21-17)19-5-6-23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,19,20,21)
InChIKeyALPSMPXMGQWGAF-UHFFFAOYSA-N
XLogP2.21
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 1307598) is 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Clc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is ALPSMPXMGQWGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O/c18-13-1-3-14(4-2-13)24-17-15(11-22-24)16(20-12-21-17)19-5-6-23-7-9-25-10-8-23/h1-4,11-12H,5-10H2,(H,19,20,21).
What are the key properties of 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 358.83 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 1307598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).