N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide

C22H25N3OS — CID 95855723

IUPACN-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide
SMILESCC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)Cc2ccsc2)C1
InChIInChI=1S/C22H25N3OS/c1-22(2)11-19(24-21(26)10-17-8-9-27-15-17)18-13-23-25(20(18)12-22)14-16-6-4-3-5-7-16/h3-9,13,15,19H,10-12,14H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyLSDFBCGHNIGBHD-LJQANCHMSA-N
MW379.53 g/mol
LogP4.37
Rot. Bonds5

About N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide

N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide (PubChem CID 95855723) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide
PubChem CID95855723
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide
SMILESCC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)Cc2ccsc2)C1
InChIInChI=1S/C22H25N3OS/c1-22(2)11-19(24-21(26)10-17-8-9-27-15-17)18-13-23-25(20(18)12-22)14-16-6-4-3-5-7-16/h3-9,13,15,19H,10-12,14H2,1-2H3,(H,24,26)/t19-/m1/s1
InChIKeyLSDFBCGHNIGBHD-LJQANCHMSA-N
XLogP4.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide 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

N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-(3-methoxyphenyl)acetamide
CID 95855701
N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 95855732
N-(1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 46959703
N-[(4S)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 51591486
N-[(4S)-1-[(2-chlorophenyl)methyl]-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51584486
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-2-(2,3,6-trifluorophenyl)acetamide
CID 45189876
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42148100
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)acetamide
CID 24818901
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454416
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide (CID 95855723) is N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide is CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)Cc2ccsc2)C1.
What is the InChIKey of N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide?
The InChIKey is LSDFBCGHNIGBHD-LJQANCHMSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-22(2)11-19(24-21(26)10-17-8-9-27-15-17)18-13-23-25(20(18)12-22)14-16-6-4-3-5-7-16/h3-9,13,15,19H,10-12,14H2,1-2H3,(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide?
N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide has a molecular weight of 379.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-benzyl-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 95855723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).