N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide

C21H26N6O — CID 24793225

IUPACN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCCn2cncn2)C1
InChIInChI=1S/C21H26N6O/c1-21(2)11-18(25-20(28)9-6-10-26-15-22-14-24-26)17-13-23-27(19(17)12-21)16-7-4-3-5-8-16/h3-5,7-8,13-15,18H,6,9-12H2,1-2H3,(H,25,28)
InChIKeyJPILDNDCRGGDSN-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.07
Rot. Bonds6

About N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide

N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 24793225) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID24793225
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC NameN-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCCn2cncn2)C1
InChIInChI=1S/C21H26N6O/c1-21(2)11-18(25-20(28)9-6-10-26-15-22-14-24-26)17-13-23-27(19(17)12-21)16-7-4-3-5-8-16/h3-5,7-8,13-15,18H,6,9-12H2,1-2H3,(H,25,28)
InChIKeyJPILDNDCRGGDSN-UHFFFAOYSA-N
XLogP3.07
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

US10214537, Example 8
CID 132209935
6-(1-ethyl-4-fluoroindazol-6-yl)-3-[3-(1-methyl-1,2,4-triazol-3-yl)pentan-3-yl]-1H-pyridin-2-one
CID 137477947
1-[3-(1-m-Tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylamino)-propyl]-pyrrolidin-2-one
CID 1829290
4-[2-(1-Methyl-1H-indol-3-YL)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL]-N-(1-phenylethyl)butanamide
CID 16028712
4-[2-(1-Methyl-1H-pyrrol-2-YL)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL]-N-[(4-methylphenyl)methyl]butanamide
CID 16028839
N-(3-methylbenzyl)-4-[2-(1-methyl-1H-pyrrol-2-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4(5H)-yl]butanamide
CID 16028845
N-{[4-(Dimethylamino)phenyl]methyl}-4-[2-(1-methyl-1H-pyrrol-2-YL)-5-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidin-4-YL]butanamide
CID 16028872
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-(1H-1,2,4-triazol-1-yl)butanamide
CID 24791549
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 24791861
1-ethyl-N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-1H-pyrazole-4-carboxamide
CID 24793186
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-ketopyrrolidino)butyramide
CID 24817735
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 24817763

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide (CID 24793225) is N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide is CC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCCn2cncn2)C1.
What is the InChIKey of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is JPILDNDCRGGDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-21(2)11-18(25-20(28)9-6-10-26-15-22-14-24-26)17-13-23-27(19(17)12-21)16-7-4-3-5-8-16/h3-5,7-8,13-15,18H,6,9-12H2,1-2H3,(H,25,28).
What are the key properties of N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide?
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 378.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 24793225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).