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

IUPACN-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine
SMILESCNCc1c(-c2cn[nH]c2)cnc2ccc(-c3cn[nH]c3-c3cccc(C)n3)cc12
InChIInChI=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)
InChIKeyNOJLXQGDWRWXOA-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.10
Rot. Bonds5

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 NameN-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine
PubChem CID167366534
Molecular FormulaC23H21N7
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC NameN-methyl-1-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)quinolin-4-yl]methanamine
SMILESCNCc1c(-c2cn[nH]c2)cnc2ccc(-c3cn[nH]c3-c3cccc(C)n3)cc12
InChIInChI=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)
InChIKeyNOJLXQGDWRWXOA-UHFFFAOYSA-N
XLogP4.10
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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).