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]propanamide

C31H29F3N6O3 — CID 59484522

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]propanamide
SMILESCCC(=O)NCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12
InChIInChI=1S/C31H29F3N6O3/c1-4-27(41)36-14-20-15-37-39-28(20)22-13-19(3)38-29-21(22)7-5-9-26(29)43-17-23-18(2)10-11-35-25(23)16-40-12-6-8-24(30(40)42)31(32,33)34/h5-13,15H,4,14,16-17H2,1-3H3,(H,36,41)(H,37,39)
InChIKeyCDGZFKIRDNWEDY-UHFFFAOYSA-N
MW590.61 g/mol
LogP5.47
Rot. Bonds9

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]propanamide

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]propanamide (PubChem CID 59484522) has the molecular formula C31H29F3N6O3 and a molecular weight of 590.61 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]propanamide.

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]propanamide
PubChem CID59484522
Molecular FormulaC31H29F3N6O3
Molecular Weight590.61 g/mol
Exact Mass590.23
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]propanamide
SMILESCCC(=O)NCc1cn[nH]c1-c1cc(C)nc2c(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)cccc12
InChIInChI=1S/C31H29F3N6O3/c1-4-27(41)36-14-20-15-37-39-28(20)22-13-19(3)38-29-21(22)7-5-9-26(29)43-17-23-18(2)10-11-35-25(23)16-40-12-6-8-24(30(40)42)31(32,33)34/h5-13,15H,4,14,16-17H2,1-3H3,(H,36,41)(H,37,39)
InChIKeyCDGZFKIRDNWEDY-UHFFFAOYSA-N
XLogP5.47
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.61
LogP ≤ 55.47
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]propanamide 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]propanamide?
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]propanamide (CID 59484522) 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]propanamide.
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]propanamide?
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]propanamide is CCC(=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]propanamide?
The InChIKey is CDGZFKIRDNWEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N6O3/c1-4-27(41)36-14-20-15-37-39-28(20)22-13-19(3)38-29-21(22)7-5-9-26(29)43-17-23-18(2)10-11-35-25(23)16-40-12-6-8-24(30(40)42)31(32,33)34/h5-13,15H,4,14,16-17H2,1-3H3,(H,36,41)(H,37,39).
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]propanamide?
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]propanamide has a molecular weight of 590.61 g/mol, XLogP of 5.47, 9 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]propanamide is sourced from PubChem (CID 59484522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).