N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide

C21H24N4O — CID 78866195

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCC(C)N3CCc4ccccc4C3)c2c1
InChIInChI=1S/C21H24N4O/c1-14-7-8-19-18(11-14)20(24-23-19)21(26)22-12-15(2)25-10-9-16-5-3-4-6-17(16)13-25/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyASUQQOKZUQRSSZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide (PubChem CID 78866195) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide
PubChem CID78866195
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCC(C)N3CCc4ccccc4C3)c2c1
InChIInChI=1S/C21H24N4O/c1-14-7-8-19-18(11-14)20(24-23-19)21(26)22-12-15(2)25-10-9-16-5-3-4-6-17(16)13-25/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyASUQQOKZUQRSSZ-UHFFFAOYSA-N
XLogP3.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 32919875
3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide
CID 32929129
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,5-dimethylfuran-3-carboxamide
CID 32924591
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 86926725
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 51727801
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859024
4-acetyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 155945564

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide (CID 78866195) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NCC(C)N3CCc4ccccc4C3)c2c1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide?
The InChIKey is ASUQQOKZUQRSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-7-8-19-18(11-14)20(24-23-19)21(26)22-12-15(2)25-10-9-16-5-3-4-6-17(16)13-25/h3-8,11,15H,9-10,12-13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 78866195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).