1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal

C32H33F3N6O3 — CID 145480931

IUPAC1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal
SMILESCCC=O.CNCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12
InChIInChI=1S/C29H27F3N6O2.C3H6O/c1-17-9-10-34-24(15-38-11-5-7-23(28(38)39)29(30,31)32)22(17)16-40-25-8-4-6-20-21(12-18(2)36-27(20)25)26-19(13-33-3)14-35-37-26;1-2-3-4/h4-12,14,33H,13,15-16H2,1-3H3,(H,35,37);3H,2H2,1H3
InChIKeyMZAWCWIAFGWAIF-UHFFFAOYSA-N
MW606.65 g/mol
LogP5.76
Rot. Bonds9

About 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal

1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal (PubChem CID 145480931) has the molecular formula C32H33F3N6O3 and a molecular weight of 606.65 g/mol. Its IUPAC name is 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal.

Molecular Properties

Compound Name1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal
PubChem CID145480931
Molecular FormulaC32H33F3N6O3
Molecular Weight606.65 g/mol
Exact Mass606.26
IUPAC Name1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal
SMILESCCC=O.CNCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12
InChIInChI=1S/C29H27F3N6O2.C3H6O/c1-17-9-10-34-24(15-38-11-5-7-23(28(38)39)29(30,31)32)22(17)16-40-25-8-4-6-20-21(12-18(2)36-27(20)25)26-19(13-33-3)14-35-37-26;1-2-3-4/h4-12,14,33H,13,15-16H2,1-3H3,(H,35,37);3H,2H2,1H3
InChIKeyMZAWCWIAFGWAIF-UHFFFAOYSA-N
XLogP5.76
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.65
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jsm-10292
CID 25019714
1-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-3-trifluoromethyl-1H-pyridin-2-one
CID 44191040
2,2,2-trifluoro-N-((1R,2S)-1-(1-(4-fluorophenyl)-1H-indazol-5-yloxy)-1-(quinolin-3-yl)propan-2-yl)acetamide
CID 59339621
cyclohexanecarboxylic acid{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-amide
CID 44190263
N-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-isobutyramide
CID 44190581
N-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-ylmethyl}-isobutyramide
CID 44190850
N-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-ylmethyl}-acetamide
CID 44190854
1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-ylmethyl}-1H-pyridin-2-one
CID 44190942
1-{5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-ylmethyl}-3-trifluoromethyl-1H-pyridin-2-one
CID 44190944
8-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668366
US9573957, Example 129
CID 117819833
US9573957, Example 128
CID 117820536

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal?
The IUPAC name of 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal (CID 145480931) is 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal.
What is the SMILES notation for 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal?
The canonical SMILES for 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal is CCC=O.CNCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12.
What is the InChIKey of 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal?
The InChIKey is MZAWCWIAFGWAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N6O2.C3H6O/c1-17-9-10-34-24(15-38-11-5-7-23(28(38)39)29(30,31)32)22(17)16-40-25-8-4-6-20-21(12-18(2)36-27(20)25)26-19(13-33-3)14-35-37-26;1-2-3-4/h4-12,14,33H,13,15-16H2,1-3H3,(H,35,37);3H,2H2,1H3.
What are the key properties of 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal?
1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal has a molecular weight of 606.65 g/mol, XLogP of 5.76, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-3-[[2-methyl-4-[4-(methylaminomethyl)-1H-pyrazol-5-yl]quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one;propanal is sourced from PubChem (CID 145480931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).