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

C19H22N6O2 — CID 6539557

IUPAC4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
SMILESO=C(CCCN1CCOCC1)Nc1n[nH]c2nnc(-c3ccccc3)cc12
InChIInChI=1S/C19H22N6O2/c26-17(7-4-8-25-9-11-27-12-10-25)20-18-15-13-16(14-5-2-1-3-6-14)21-23-19(15)24-22-18/h1-3,5-6,13H,4,7-12H2,(H2,20,22,23,24,26)
InChIKeyWZEMTZHNQZDUFC-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.07
Rot. Bonds6

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

4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide (PubChem CID 6539557) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide.

Molecular Properties

Compound Name4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
PubChem CID6539557
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide
SMILESO=C(CCCN1CCOCC1)Nc1n[nH]c2nnc(-c3ccccc3)cc12
InChIInChI=1S/C19H22N6O2/c26-17(7-4-8-25-9-11-27-12-10-25)20-18-15-13-16(14-5-2-1-3-6-14)21-23-19(15)24-22-18/h1-3,5-6,13H,4,7-12H2,(H2,20,22,23,24,26)
InChIKeyWZEMTZHNQZDUFC-UHFFFAOYSA-N
XLogP2.07
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
The IUPAC name of 4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide (CID 6539557) is 4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide.
What is the SMILES notation for 4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
The canonical SMILES for 4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide is O=C(CCCN1CCOCC1)Nc1n[nH]c2nnc(-c3ccccc3)cc12.
What is the InChIKey of 4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
The InChIKey is WZEMTZHNQZDUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-17(7-4-8-25-9-11-27-12-10-25)20-18-15-13-16(14-5-2-1-3-6-14)21-23-19(15)24-22-18/h1-3,5-6,13H,4,7-12H2,(H2,20,22,23,24,26).
What are the key properties of 4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide?
4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide has a molecular weight of 366.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)butanamide is sourced from PubChem (CID 6539557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).