N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide

C17H22N8O2 — CID 121304902

IUPACN-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide
SMILESCn1ncc2ncnc(N(CCCCCCC(=O)NO)c3cnccn3)c21
InChIInChI=1S/C17H22N8O2/c1-24-16-13(10-22-24)20-12-21-17(16)25(14-11-18-7-8-19-14)9-5-3-2-4-6-15(26)23-27/h7-8,10-12,27H,2-6,9H2,1H3,(H,23,26)
InChIKeyXMZACMJWHKHWIP-UHFFFAOYSA-N
MW370.42 g/mol
LogP1.75
Rot. Bonds9

About N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide

N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide (PubChem CID 121304902) has the molecular formula C17H22N8O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide
PubChem CID121304902
Molecular FormulaC17H22N8O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC NameN-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide
SMILESCn1ncc2ncnc(N(CCCCCCC(=O)NO)c3cnccn3)c21
InChIInChI=1S/C17H22N8O2/c1-24-16-13(10-22-24)20-12-21-17(16)25(14-11-18-7-8-19-14)9-5-3-2-4-6-15(26)23-27/h7-8,10-12,27H,2-6,9H2,1H3,(H,23,26)
InChIKeyXMZACMJWHKHWIP-UHFFFAOYSA-N
XLogP1.75
TPSA121.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
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-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide?
The IUPAC name of N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide (CID 121304902) is N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide?
The canonical SMILES for N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide is Cn1ncc2ncnc(N(CCCCCCC(=O)NO)c3cnccn3)c21.
What is the InChIKey of N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide?
The InChIKey is XMZACMJWHKHWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N8O2/c1-24-16-13(10-22-24)20-12-21-17(16)25(14-11-18-7-8-19-14)9-5-3-2-4-6-15(26)23-27/h7-8,10-12,27H,2-6,9H2,1H3,(H,23,26).
What are the key properties of N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide?
N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide has a molecular weight of 370.42 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(1-methylpyrazolo[4,5-d]pyrimidin-7-yl)-pyrazin-2-ylamino]heptanamide is sourced from PubChem (CID 121304902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).