4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide

C21H23N7O2 — CID 118184684

IUPAC4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide
SMILESCc1cc2n(n1)CC(C)CN2C(=O)CCC(=O)Nc1ccc(-c2cccnc2)nn1
InChIInChI=1S/C21H23N7O2/c1-14-12-27(20-10-15(2)26-28(20)13-14)21(30)8-7-19(29)23-18-6-5-17(24-25-18)16-4-3-9-22-11-16/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,23,25,29)
InChIKeyUWPHUIHRQIMIRM-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.45
Rot. Bonds5

About 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide

4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide (PubChem CID 118184684) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide.

Molecular Properties

Compound Name4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide
PubChem CID118184684
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide
SMILESCc1cc2n(n1)CC(C)CN2C(=O)CCC(=O)Nc1ccc(-c2cccnc2)nn1
InChIInChI=1S/C21H23N7O2/c1-14-12-27(20-10-15(2)26-28(20)13-14)21(30)8-7-19(29)23-18-6-5-17(24-25-18)16-4-3-9-22-11-16/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,23,25,29)
InChIKeyUWPHUIHRQIMIRM-UHFFFAOYSA-N
XLogP2.45
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide with MolForge

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Related Compounds

N-[6-(4-chlorophenyl)pyridazin-3-yl]-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165416
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(4-pyridazin-3-ylphenyl)butanamide
CID 118165405
1-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-5-(5-pyridin-3-yl-2-pyridinyl)pentane-1,4-dione
CID 147789707
2-(6-methyl-1,3-dioxoisoindol-4-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
CID 118567322
3-methyl-6-pyridin-3-ylpyridazine
CID 89161646
2-[(6-pyridin-3-ylpyridazin-3-yl)amino]propanoic acid
CID 116971458
N-(4-cyclohexylphenyl)-4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxobutanamide
CID 118165652
2,5-dimethyl-7-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 139027856
2-N-(6-pyridin-3-ylpyridazin-3-yl)propane-1,2-diamine
CID 116970540
4-methyl-N-(6-phenylpyridazin-3-yl)pyridine-3-carboxamide
CID 167955003
4-(6-methyl-2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-4-oxobutanoic acid
CID 118165449
4-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(2-phenylethyl)butanamide
CID 46282397

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide?
The IUPAC name of 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide (CID 118184684) is 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide.
What is the SMILES notation for 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide?
The canonical SMILES for 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide is Cc1cc2n(n1)CC(C)CN2C(=O)CCC(=O)Nc1ccc(-c2cccnc2)nn1.
What is the InChIKey of 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide?
The InChIKey is UWPHUIHRQIMIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-14-12-27(20-10-15(2)26-28(20)13-14)21(30)8-7-19(29)23-18-6-5-17(24-25-18)16-4-3-9-22-11-16/h3-6,9-11,14H,7-8,12-13H2,1-2H3,(H,23,25,29).
What are the key properties of 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide?
4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide has a molecular weight of 405.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-4-oxo-N-(6-pyridin-3-ylpyridazin-3-yl)butanamide is sourced from PubChem (CID 118184684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).