N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide

C26H28N4O2 — CID 6623538

IUPACN-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C26H28N4O2/c1-19-23-17-27-30(22-13-8-5-9-14-22)26(32)25(23)20(2)29(19)16-10-15-24(31)28(3)18-21-11-6-4-7-12-21/h4-9,11-14,17H,10,15-16,18H2,1-3H3
InChIKeyVJNUKJLZAGTMPH-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.24
Rot. Bonds7

About N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide

N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide (PubChem CID 6623538) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide.

Molecular Properties

Compound NameN-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide
PubChem CID6623538
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C26H28N4O2/c1-19-23-17-27-30(22-13-8-5-9-14-22)26(32)25(23)20(2)29(19)16-10-15-24(31)28(3)18-21-11-6-4-7-12-21/h4-9,11-14,17H,10,15-16,18H2,1-3H3
InChIKeyVJNUKJLZAGTMPH-UHFFFAOYSA-N
XLogP4.24
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide?
The IUPAC name of N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide (CID 6623538) is N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide.
What is the SMILES notation for N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide?
The canonical SMILES for N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide is Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide?
The InChIKey is VJNUKJLZAGTMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-23-17-27-30(22-13-8-5-9-14-22)26(32)25(23)20(2)29(19)16-10-15-24(31)28(3)18-21-11-6-4-7-12-21/h4-9,11-14,17H,10,15-16,18H2,1-3H3.
What are the key properties of N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide?
N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide has a molecular weight of 428.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-methylbutanamide is sourced from PubChem (CID 6623538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).