1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile

C17H16N6O — CID 10426145

IUPAC1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile
SMILESCc1ccc(-n2ncc3c(N4CCOCC4)nc(C#N)nc32)cc1
InChIInChI=1S/C17H16N6O/c1-12-2-4-13(5-3-12)23-17-14(11-19-23)16(20-15(10-18)21-17)22-6-8-24-9-7-22/h2-5,11H,6-9H2,1H3
InChIKeyDBYOJBZTUZLETB-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.83
Rot. Bonds2

About 1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile

1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile (PubChem CID 10426145) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile
PubChem CID10426145
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile
SMILESCc1ccc(-n2ncc3c(N4CCOCC4)nc(C#N)nc32)cc1
InChIInChI=1S/C17H16N6O/c1-12-2-4-13(5-3-12)23-17-14(11-19-23)16(20-15(10-18)21-17)22-6-8-24-9-7-22/h2-5,11H,6-9H2,1H3
InChIKeyDBYOJBZTUZLETB-UHFFFAOYSA-N
XLogP1.83
TPSA79.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile?
The IUPAC name of 1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile (CID 10426145) is 1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile is Cc1ccc(-n2ncc3c(N4CCOCC4)nc(C#N)nc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile?
The InChIKey is DBYOJBZTUZLETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-12-2-4-13(5-3-12)23-17-14(11-19-23)16(20-15(10-18)21-17)22-6-8-24-9-7-22/h2-5,11H,6-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile?
1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile has a molecular weight of 320.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 10426145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).