N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C24H28N4O3 — CID 86899900

IUPACN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)cn1
InChIInChI=1S/C24H28N4O3/c1-17-7-10-19(11-8-17)28-21-6-4-3-5-20(21)23(27-28)24(29)26-16-18-9-12-22(25-15-18)31-14-13-30-2/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,29)
InChIKeyREDDDMSKKZXCQN-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.41
Rot. Bonds8

About N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 86899900) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID86899900
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC NameN-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOCCOc1ccc(CNC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)cn1
InChIInChI=1S/C24H28N4O3/c1-17-7-10-19(11-8-17)28-21-6-4-3-5-20(21)23(27-28)24(29)26-16-18-9-12-22(25-15-18)31-14-13-30-2/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,29)
InChIKeyREDDDMSKKZXCQN-UHFFFAOYSA-N
XLogP3.41
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55598782
N-[2-(methylamino)ethyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 119503192
N-[(2-methoxy-4-pyridinyl)methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55775483
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46597048
1-(4-fluorophenyl)-N-[2-(2-methoxyethoxy)-4-methylphenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 47063298
3-[[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]propanoic acid
CID 119351217
N-[2-(4-aminophenyl)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119547507
1-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24605170
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55597096
1-phenyl-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374242
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 86899900) is N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is COCCOc1ccc(CNC(=O)c2nn(-c3ccc(C)cc3)c3c2CCCC3)cn1.
What is the InChIKey of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is REDDDMSKKZXCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-7-10-19(11-8-17)28-21-6-4-3-5-20(21)23(27-28)24(29)26-16-18-9-12-22(25-15-18)31-14-13-30-2/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,26,29).
What are the key properties of N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 86899900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).