N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide

C22H28N4O — CID 166329995

IUPACN-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide
SMILESCN(CCNC(=O)c1n[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N4O/c1-22(2,3)17-11-9-16(10-12-17)15-26(4)14-13-23-21(27)20-18-7-5-6-8-19(18)24-25-20/h5-12H,13-15H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyYBTMIUGOLHDDDU-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.72
Rot. Bonds6

About N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide

N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide (PubChem CID 166329995) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide
PubChem CID166329995
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide
SMILESCN(CCNC(=O)c1n[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H28N4O/c1-22(2,3)17-11-9-16(10-12-17)15-26(4)14-13-23-21(27)20-18-7-5-6-8-19(18)24-25-20/h5-12H,13-15H2,1-4H3,(H,23,27)(H,24,25)
InChIKeyYBTMIUGOLHDDDU-UHFFFAOYSA-N
XLogP3.72
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide 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-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
N-[(4-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 51162817
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
N-[(4-bromophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 43003333
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-(2,3-dihydroxy-2-methylpropyl)-1H-indazole-3-carboxamide
CID 66171472
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
CID 41277786
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide (CID 166329995) is N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide is CN(CCNC(=O)c1n[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide?
The InChIKey is YBTMIUGOLHDDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-22(2,3)17-11-9-16(10-12-17)15-26(4)14-13-23-21(27)20-18-7-5-6-8-19(18)24-25-20/h5-12H,13-15H2,1-4H3,(H,23,27)(H,24,25).
What are the key properties of N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide?
N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-tert-butylphenyl)methyl-methylamino]ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 166329995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).