N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide

C23H27N5O2 — CID 24817695

IUPACN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C23H27N5O2/c1-15-4-8-17(9-5-15)28-20-13-23(2,3)12-19(18(20)14-24-28)25-21(29)10-6-16-7-11-22(30)27-26-16/h4-5,7-9,11,14,19H,6,10,12-13H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyPOQFRNJJHQKGGG-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.03
Rot. Bonds5

About N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide

N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide (PubChem CID 24817695) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide
PubChem CID24817695
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C23H27N5O2/c1-15-4-8-17(9-5-15)28-20-13-23(2,3)12-19(18(20)14-24-28)25-21(29)10-6-16-7-11-22(30)27-26-16/h4-5,7-9,11,14,19H,6,10,12-13H2,1-3H3,(H,25,29)(H,27,30)
InChIKeyPOQFRNJJHQKGGG-UHFFFAOYSA-N
XLogP3.03
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide?
The IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide (CID 24817695) is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide is Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2ccc(=O)[nH]n2)cc1.
What is the InChIKey of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide?
The InChIKey is POQFRNJJHQKGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15-4-8-17(9-5-15)28-20-13-23(2,3)12-19(18(20)14-24-28)25-21(29)10-6-16-7-11-22(30)27-26-16/h4-5,7-9,11,14,19H,6,10,12-13H2,1-3H3,(H,25,29)(H,27,30).
What are the key properties of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide?
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide has a molecular weight of 405.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-(6-oxo-1H-pyridazin-3-yl)propanamide is sourced from PubChem (CID 24817695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).