6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine

C20H19N7O — CID 44607002

IUPAC6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine
SMILESNc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)nc1
InChIInChI=1S/C20H19N7O/c21-14-6-7-17(22-12-14)18-24-19(26-8-10-28-11-9-26)16-13-23-27(20(16)25-18)15-4-2-1-3-5-15/h1-7,12-13H,8-11,21H2
InChIKeyAQZCUKHDRDMPLK-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.30
Rot. Bonds3

About 6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine

6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine (PubChem CID 44607002) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine
PubChem CID44607002
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine
SMILESNc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)nc1
InChIInChI=1S/C20H19N7O/c21-14-6-7-17(22-12-14)18-24-19(26-8-10-28-11-9-26)16-13-23-27(20(16)25-18)15-4-2-1-3-5-15/h1-7,12-13H,8-11,21H2
InChIKeyAQZCUKHDRDMPLK-UHFFFAOYSA-N
XLogP2.30
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine?
The IUPAC name of 6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine (CID 44607002) is 6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine.
What is the SMILES notation for 6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine?
The canonical SMILES for 6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine is Nc1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)nc1.
What is the InChIKey of 6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine?
The InChIKey is AQZCUKHDRDMPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c21-14-6-7-17(22-12-14)18-24-19(26-8-10-28-11-9-26)16-13-23-27(20(16)25-18)15-4-2-1-3-5-15/h1-7,12-13H,8-11,21H2.
What are the key properties of 6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine?
6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine has a molecular weight of 373.42 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-morpholin-4-yl-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl)pyridin-3-amine is sourced from PubChem (CID 44607002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).