7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide

C22H29N7O3 — CID 155555562

IUPAC7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide
SMILESNc1ccc(-c2nc(N3CCOCC3)c3cnn(CCCCCCC(=O)NO)c3n2)cc1
InChIInChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
InChIKeyABJDGWXKAMVWGP-UHFFFAOYSA-N
MW439.52 g/mol
LogP2.37
Rot. Bonds9

About 7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide

7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide (PubChem CID 155555562) has the molecular formula C22H29N7O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide
PubChem CID155555562
Molecular FormulaC22H29N7O3
Molecular Weight439.52 g/mol
Exact Mass439.23
IUPAC Name7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide
SMILESNc1ccc(-c2nc(N3CCOCC3)c3cnn(CCCCCCC(=O)NO)c3n2)cc1
InChIInChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30)
InChIKeyABJDGWXKAMVWGP-UHFFFAOYSA-N
XLogP2.37
TPSA131.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide?
The IUPAC name of 7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide (CID 155555562) is 7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide is Nc1ccc(-c2nc(N3CCOCC3)c3cnn(CCCCCCC(=O)NO)c3n2)cc1.
What is the InChIKey of 7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide?
The InChIKey is ABJDGWXKAMVWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3/c23-17-8-6-16(7-9-17)20-25-21(28-11-13-32-14-12-28)18-15-24-29(22(18)26-20)10-4-2-1-3-5-19(30)27-31/h6-9,15,31H,1-5,10-14,23H2,(H,27,30).
What are the key properties of 7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide?
7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide has a molecular weight of 439.52 g/mol, XLogP of 2.37, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(4-aminophenyl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 155555562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).