1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine

C24H24FN5 — CID 142776731

IUPAC1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CC(n2ccc(-c3ccc4ccc(-c5ccccn5)nc4c3F)n2)C1
InChIInChI=1S/C24H24FN5/c1-29(2)15-16-13-18(14-16)30-12-10-20(28-30)19-8-6-17-7-9-22(27-24(17)23(19)25)21-5-3-4-11-26-21/h3-12,16,18H,13-15H2,1-2H3
InChIKeyMERWUUWMDHBTOS-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.81
Rot. Bonds5

About 1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine

1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine (PubChem CID 142776731) has the molecular formula C24H24FN5 and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine
PubChem CID142776731
Molecular FormulaC24H24FN5
Molecular Weight401.49 g/mol
Exact Mass401.20
IUPAC Name1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CC(n2ccc(-c3ccc4ccc(-c5ccccn5)nc4c3F)n2)C1
InChIInChI=1S/C24H24FN5/c1-29(2)15-16-13-18(14-16)30-12-10-20(28-30)19-8-6-17-7-9-22(27-24(17)23(19)25)21-5-3-4-11-26-21/h3-12,16,18H,13-15H2,1-2H3
InChIKeyMERWUUWMDHBTOS-UHFFFAOYSA-N
XLogP4.81
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine (CID 142776731) is 1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine is CN(C)CC1CC(n2ccc(-c3ccc4ccc(-c5ccccn5)nc4c3F)n2)C1.
What is the InChIKey of 1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine?
The InChIKey is MERWUUWMDHBTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5/c1-29(2)15-16-13-18(14-16)30-12-10-20(28-30)19-8-6-17-7-9-22(27-24(17)23(19)25)21-5-3-4-11-26-21/h3-12,16,18H,13-15H2,1-2H3.
What are the key properties of 1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine?
1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine has a molecular weight of 401.49 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(8-fluoro-2-pyridin-2-ylquinolin-7-yl)pyrazol-1-yl]cyclobutyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 142776731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).