N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine

C23H21N7 — CID 167366534

About N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine

N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine (PubChem CID 167366534) has the molecular formula C23H21N7 and a molecular weight of 395.47 g/mol. Its IUPAC name is N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine.

Molecular Properties

• Compound Name: N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine
• PubChem CID: 167366534
• Molecular Formula: C23H21N7
• Molecular Weight: 395.47 g/mol
• Exact Mass: 395.19
• IUPAC Name: N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine
• SMILES: CNCc1c(-c2cn[nH]c2)cnc2ccc(-c3cn[nH]c3-c3cccc(C)n3)cc12
• InChI: InChI=1S/C23H21N7/c1-14-4-3-5-22(29-14)23-19(13-28-30-23)15-6-7-21-17(8-15)20(11-24-2)18(12-25-21)16-9-26-27-10-16/h3-10,12-13,24H,11H2,1-2H3,(H,26,27)(H,28,30)
• InChIKey: NOJLXQGDWRWXOA-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.47
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine?

The IUPAC name of N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine (CID 167366534) is N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine.

What is the SMILES notation for N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine?

The canonical SMILES for N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine is CNCc1c(-c2cn[nH]c2)cnc2ccc(-c3cn[nH]c3-c3cccc(C)n3)cc12.

What is the InChIKey of N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine?

The InChIKey is NOJLXQGDWRWXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7/c1-14-4-3-5-22(29-14)23-19(13-28-30-23)15-6-7-21-17(8-15)20(11-24-2)18(12-25-21)16-9-26-27-10-16/h3-10,12-13,24H,11H2,1-2H3,(H,26,27)(H,28,30).

What are the key properties of N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine?

N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine has a molecular weight of 395.47 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine is sourced from PubChem (CID 167366534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).