5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide

C22H29N7O — CID 6539559

IUPAC5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide
SMILESCCN1CCN(CCCCC(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C22H29N7O/c1-2-28-12-14-29(15-13-28)11-7-6-10-20(30)23-21-18-16-19(17-8-4-3-5-9-17)24-26-22(18)27-25-21/h3-5,8-9,16H,2,6-7,10-15H2,1H3,(H2,23,25,26,27,30)
InChIKeyUJNZJFWHEHUMNG-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.77
Rot. Bonds8

About 5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide

5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide (PubChem CID 6539559) has the molecular formula C22H29N7O and a molecular weight of 407.52 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide
PubChem CID6539559
Molecular FormulaC22H29N7O
Molecular Weight407.52 g/mol
Exact Mass407.24
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide
SMILESCCN1CCN(CCCCC(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C22H29N7O/c1-2-28-12-14-29(15-13-28)11-7-6-10-20(30)23-21-18-16-19(17-8-4-3-5-9-17)24-26-22(18)27-25-21/h3-5,8-9,16H,2,6-7,10-15H2,1H3,(H2,23,25,26,27,30)
InChIKeyUJNZJFWHEHUMNG-UHFFFAOYSA-N
XLogP2.77
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide (CID 6539559) is 5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide is CCN1CCN(CCCCC(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide?
The InChIKey is UJNZJFWHEHUMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O/c1-2-28-12-14-29(15-13-28)11-7-6-10-20(30)23-21-18-16-19(17-8-4-3-5-9-17)24-26-22(18)27-25-21/h3-5,8-9,16H,2,6-7,10-15H2,1H3,(H2,23,25,26,27,30).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide?
5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide has a molecular weight of 407.52 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)pentanamide is sourced from PubChem (CID 6539559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).