N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide

C30H27F3N6O3 — CID 25015856

IUPACN-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12
InChIInChI=1S/C30H27F3N6O3/c1-17-9-10-34-25(15-39-11-5-7-24(29(39)41)30(31,32)33)23(17)16-42-26-8-4-6-21-22(12-18(2)37-28(21)26)27-20(14-36-38-27)13-35-19(3)40/h4-12,14H,13,15-16H2,1-3H3,(H,35,40)(H,36,38)
InChIKeyPRBPWYQBNAQANU-UHFFFAOYSA-N
MW576.58 g/mol
LogP5.08
Rot. Bonds8

About N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide

N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide (PubChem CID 25015856) has the molecular formula C30H27F3N6O3 and a molecular weight of 576.58 g/mol. Its IUPAC name is N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide
PubChem CID25015856
Molecular FormulaC30H27F3N6O3
Molecular Weight576.58 g/mol
Exact Mass576.21
IUPAC NameN-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12
InChIInChI=1S/C30H27F3N6O3/c1-17-9-10-34-25(15-39-11-5-7-24(29(39)41)30(31,32)33)23(17)16-42-26-8-4-6-21-22(12-18(2)37-28(21)26)27-20(14-36-38-27)13-35-19(3)40/h4-12,14H,13,15-16H2,1-3H3,(H,35,40)(H,36,38)
InChIKeyPRBPWYQBNAQANU-UHFFFAOYSA-N
XLogP5.08
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.58
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide (CID 25015856) is N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide is CC(=O)NCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12.
What is the InChIKey of N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide?
The InChIKey is PRBPWYQBNAQANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F3N6O3/c1-17-9-10-34-25(15-39-11-5-7-24(29(39)41)30(31,32)33)23(17)16-42-26-8-4-6-21-22(12-18(2)37-28(21)26)27-20(14-36-38-27)13-35-19(3)40/h4-12,14H,13,15-16H2,1-3H3,(H,35,40)(H,36,38).
What are the key properties of N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide?
N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide has a molecular weight of 576.58 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]-1H-pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 25015856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).