N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C20H26N4O — CID 124853333

About N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 124853333) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• PubChem CID: 124853333
• Molecular Formula: C20H26N4O
• Molecular Weight: 338.45 g/mol
• Exact Mass: 338.21
• IUPAC Name: N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• SMILES: CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1n[nH]c2c1CCCC2
• InChI: InChI=1S/C20H26N4O/c1-23-12-15-8-4-3-7-14(15)11-16(23)13-24(2)20(25)19-17-9-5-6-10-18(17)21-22-19/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,21,22)/t16-/m1/s1
• InChIKey: VTKPFZMTSQCLIW-MRXNPFEDSA-N
• XLogP: 2.42
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.45
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The IUPAC name of N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 124853333) is N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

What is the SMILES notation for N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The canonical SMILES for N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is CN(C[C@H]1Cc2ccccc2CN1C)C(=O)c1n[nH]c2c1CCCC2.

What is the InChIKey of N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

The InChIKey is VTKPFZMTSQCLIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-12-15-8-4-3-7-14(15)11-16(23)13-24(2)20(25)19-17-9-5-6-10-18(17)21-22-19/h3-4,7-8,16H,5-6,9-13H2,1-2H3,(H,21,22)/t16-/m1/s1.

What are the key properties of N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?

N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[[(3R)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 124853333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).