4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide

C27H30N4O2 — CID 20894177

IUPAC4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C27H30N4O2/c1-19(22-11-6-4-7-12-22)17-28-25(32)15-10-16-30-20(2)24-18-29-31(23-13-8-5-9-14-23)27(33)26(24)21(30)3/h4-9,11-14,18-19H,10,15-17H2,1-3H3,(H,28,32)
InChIKeyNFUFGKYQYAPISS-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.50
Rot. Bonds8

About 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide

4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide (PubChem CID 20894177) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide.

Molecular Properties

Compound Name4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide
PubChem CID20894177
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide
SMILESCc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCC(C)c1ccccc1
InChIInChI=1S/C27H30N4O2/c1-19(22-11-6-4-7-12-22)17-28-25(32)15-10-16-30-20(2)24-18-29-31(23-13-8-5-9-14-23)27(33)26(24)21(30)3/h4-9,11-14,18-19H,10,15-17H2,1-3H3,(H,28,32)
InChIKeyNFUFGKYQYAPISS-UHFFFAOYSA-N
XLogP4.50
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,5-dimethylphenyl)butanamide
CID 20894167
5,7-dimethyl-6-pentyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 118579926
4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]butanamide
CID 92668941
6-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-4-oxobutyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 92701714
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetic acid
CID 20887936
4-[3-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-6-yl]butanoic acid
CID 53212757
2-[6-[(2-fluorophenyl)methyl]-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 92669005
6-[3-(1H-benzimidazol-2-yl)propyl]-5,7-dimethyl-3-phenylpyrrolo[3,4-d]pyridazin-4-one
CID 118570963
2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(3,4-dimethylphenyl)acetamide
CID 20893978
4-(4-methyl-1-oxo-[1]benzothiolo[2,3-d]pyridazin-2-yl)-N-(2-phenylpropyl)butanamide
CID 22514290
N-(3,3-diphenylpropyl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882187
N-cyclopropyl-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)propanamide
CID 20894045

Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide?
The IUPAC name of 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide (CID 20894177) is 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide.
What is the SMILES notation for 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide?
The canonical SMILES for 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide is Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)NCC(C)c1ccccc1.
What is the InChIKey of 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide?
The InChIKey is NFUFGKYQYAPISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-19(22-11-6-4-7-12-22)17-28-25(32)15-10-16-30-20(2)24-18-29-31(23-13-8-5-9-14-23)27(33)26(24)21(30)3/h4-9,11-14,18-19H,10,15-17H2,1-3H3,(H,28,32).
What are the key properties of 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide?
4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide has a molecular weight of 442.56 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)-N-(2-phenylpropyl)butanamide is sourced from PubChem (CID 20894177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).