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

C21H27N7O — CID 6539556

IUPAC4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
SMILESCCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C21H27N7O/c1-2-27-11-13-28(14-12-27)10-6-9-19(29)22-20-17-15-18(16-7-4-3-5-8-16)23-25-21(17)26-24-20/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,22,24,25,26,29)
InChIKeyFQQWTITYZMFQRJ-UHFFFAOYSA-N
MW393.50 g/mol
LogP2.38
Rot. Bonds7

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

4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide (PubChem CID 6539556) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
PubChem CID6539556
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
SMILESCCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C21H27N7O/c1-2-27-11-13-28(14-12-27)10-6-9-19(29)22-20-17-15-18(16-7-4-3-5-8-16)23-25-21(17)26-24-20/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,22,24,25,26,29)
InChIKeyFQQWTITYZMFQRJ-UHFFFAOYSA-N
XLogP2.38
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide (CID 6539556) is 4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide is CCN1CCN(CCCC(=O)Nc2n[nH]c3nnc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
The InChIKey is FQQWTITYZMFQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-2-27-11-13-28(14-12-27)10-6-9-19(29)22-20-17-15-18(16-7-4-3-5-8-16)23-25-21(17)26-24-20/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,22,24,25,26,29).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide has a molecular weight of 393.50 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide is sourced from PubChem (CID 6539556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).