N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide

C23H28N8O3 — CID 118366997

IUPACN-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide
SMILESO=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc4cn[nH]c4c3)nc21)NO
InChIInChI=1S/C23H28N8O3/c32-19(29-33)5-3-1-2-4-8-31-15-24-20-22(30-9-11-34-12-10-30)26-21(27-23(20)31)16-6-7-17-14-25-28-18(17)13-16/h6-7,13-15,33H,1-5,8-12H2,(H,25,28)(H,29,32)
InChIKeyLJMACHNDGYEEHH-UHFFFAOYSA-N
MW464.53 g/mol
LogP2.66
Rot. Bonds9

About N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide

N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide (PubChem CID 118366997) has the molecular formula C23H28N8O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide
PubChem CID118366997
Molecular FormulaC23H28N8O3
Molecular Weight464.53 g/mol
Exact Mass464.23
IUPAC NameN-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide
SMILESO=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc4cn[nH]c4c3)nc21)NO
InChIInChI=1S/C23H28N8O3/c32-19(29-33)5-3-1-2-4-8-31-15-24-20-22(30-9-11-34-12-10-30)26-21(27-23(20)31)16-6-7-17-14-25-28-18(17)13-16/h6-7,13-15,33H,1-5,8-12H2,(H,25,28)(H,29,32)
InChIKeyLJMACHNDGYEEHH-UHFFFAOYSA-N
XLogP2.66
TPSA134.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide?
The IUPAC name of N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide (CID 118366997) is N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide.
What is the SMILES notation for N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide?
The canonical SMILES for N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide is O=C(CCCCCCn1cnc2c(N3CCOCC3)nc(-c3ccc4cn[nH]c4c3)nc21)NO.
What is the InChIKey of N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide?
The InChIKey is LJMACHNDGYEEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8O3/c32-19(29-33)5-3-1-2-4-8-31-15-24-20-22(30-9-11-34-12-10-30)26-21(27-23(20)31)16-6-7-17-14-25-28-18(17)13-16/h6-7,13-15,33H,1-5,8-12H2,(H,25,28)(H,29,32).
What are the key properties of N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide?
N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide has a molecular weight of 464.53 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[2-(1H-indazol-6-yl)-6-morpholin-4-ylpurin-9-yl]heptanamide is sourced from PubChem (CID 118366997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).