N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide

C24H28N4O — CID 24791558

IUPACN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C24H28N4O/c1-17-6-9-19(10-7-17)28-22-14-24(2,3)13-21(20(22)16-26-28)27-23(29)11-8-18-5-4-12-25-15-18/h4-7,9-10,12,15-16,21H,8,11,13-14H2,1-3H3,(H,27,29)
InChIKeyIKXYMOUNDKTCAJ-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.34
Rot. Bonds5

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

N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide (PubChem CID 24791558) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide
PubChem CID24791558
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide
SMILESCc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2cccnc2)cc1
InChIInChI=1S/C24H28N4O/c1-17-6-9-19(10-7-17)28-22-14-24(2,3)13-21(20(22)16-26-28)27-23(29)11-8-18-5-4-12-25-15-18/h4-7,9-10,12,15-16,21H,8,11,13-14H2,1-3H3,(H,27,29)
InChIKeyIKXYMOUNDKTCAJ-UHFFFAOYSA-N
XLogP4.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide 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-pyridin-3-ylpropanamide?
The IUPAC name of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide (CID 24791558) is N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide is Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCc2cccnc2)cc1.
What is the InChIKey of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is IKXYMOUNDKTCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17-6-9-19(10-7-17)28-22-14-24(2,3)13-21(20(22)16-26-28)27-23(29)11-8-18-5-4-12-25-15-18/h4-7,9-10,12,15-16,21H,8,11,13-14H2,1-3H3,(H,27,29).
What are the key properties of N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide?
N-[6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 388.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-pyridin-3-ylpropanamide is sourced from PubChem (CID 24791558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).