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

C19H22N6O — CID 6539555

IUPACN-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1n[nH]c2nnc(-c3ccccc3)cc12
InChIInChI=1S/C19H22N6O/c26-17(9-6-12-25-10-4-5-11-25)20-18-15-13-16(14-7-2-1-3-8-14)21-23-19(15)24-22-18/h1-3,7-8,13H,4-6,9-12H2,(H2,20,22,23,24,26)
InChIKeyFVWBAHQOQFMWPU-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.83
Rot. Bonds6

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

N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide (PubChem CID 6539555) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide
PubChem CID6539555
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide
SMILESO=C(CCCN1CCCC1)Nc1n[nH]c2nnc(-c3ccccc3)cc12
InChIInChI=1S/C19H22N6O/c26-17(9-6-12-25-10-4-5-11-25)20-18-15-13-16(14-7-2-1-3-8-14)21-23-19(15)24-22-18/h1-3,7-8,13H,4-6,9-12H2,(H2,20,22,23,24,26)
InChIKeyFVWBAHQOQFMWPU-UHFFFAOYSA-N
XLogP2.83
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide (CID 6539555) is N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide is O=C(CCCN1CCCC1)Nc1n[nH]c2nnc(-c3ccccc3)cc12.
What is the InChIKey of N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide?
The InChIKey is FVWBAHQOQFMWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-17(9-6-12-25-10-4-5-11-25)20-18-15-13-16(14-7-2-1-3-8-14)21-23-19(15)24-22-18/h1-3,7-8,13H,4-6,9-12H2,(H2,20,22,23,24,26).
What are the key properties of N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide?
N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide has a molecular weight of 350.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazolo[3,4-c]pyridazin-3-yl)-4-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 6539555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).