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]benzamide

C35H29F3N6O3 — CID 59484122

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]benzamide
SMILESCc1cc(-c2[nH]ncc2CNC(=O)c2ccccc2)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1
InChIInChI=1S/C35H29F3N6O3/c1-21-13-14-39-29(19-44-15-7-11-28(34(44)46)35(36,37)38)27(21)20-47-30-12-6-10-25-26(16-22(2)42-32(25)30)31-24(18-41-43-31)17-40-33(45)23-8-4-3-5-9-23/h3-16,18H,17,19-20H2,1-2H3,(H,40,45)(H,41,43)
InChIKeyZOOVERCXJIFGKZ-UHFFFAOYSA-N
MW638.65 g/mol
LogP6.37
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]benzamide

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]benzamide (PubChem CID 59484122) has the molecular formula C35H29F3N6O3 and a molecular weight of 638.65 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]benzamide.

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]benzamide
PubChem CID59484122
Molecular FormulaC35H29F3N6O3
Molecular Weight638.65 g/mol
Exact Mass638.23
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]benzamide
SMILESCc1cc(-c2[nH]ncc2CNC(=O)c2ccccc2)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1
InChIInChI=1S/C35H29F3N6O3/c1-21-13-14-39-29(19-44-15-7-11-28(34(44)46)35(36,37)38)27(21)20-47-30-12-6-10-25-26(16-22(2)42-32(25)30)31-24(18-41-43-31)17-40-33(45)23-8-4-3-5-9-23/h3-16,18H,17,19-20H2,1-2H3,(H,40,45)(H,41,43)
InChIKeyZOOVERCXJIFGKZ-UHFFFAOYSA-N
XLogP6.37
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.65
LogP ≤ 56.37
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]benzamide with MolForge

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Related Compounds

3-fluoro-1-[[4-methyl-3-[[2-methyl-4-(4-propyl-1H-pyrazol-5-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]pyridin-2-one
CID 59484125
1-[[4-methyl-3-[[2-methyl-4-(1,3-thiazol-2-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 59484164
1-[[4-methyl-3-[[2-methyl-4-(5-methylpyrazol-1-yl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 59483901
1-[[3-[[4-(2-chloro-1,3-thiazol-4-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methoxy-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 67078057
N-[(Z)-2-[N-methyl-C-[2-methyl-8-[[4-methyl-2-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3-pyridinyl]methoxy]quinolin-4-yl]carbonimidoyl]but-2-enyl]acetamide
CID 162585061
1-[[3-[[4-[(1E)-2-chloro-1-methylsulfanylbuta-1,3-dienyl]-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 88952916
1-[[4-chloro-3-[[4-[4-(hydroxymethyl)-1H-pyrazol-5-yl]-2-methylquinolin-8-yl]oxymethyl]-6-methyl-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 25018172
1-[[3-[[4-(4-cyano-1H-pyrazol-5-yl)-2-methylquinolin-8-yl]oxymethyl]-4-iodo-6-methyl-2-pyridinyl]methyl]-2-oxopyridine-3-carbonitrile
CID 70850271
1-[[4-chloro-6-methyl-3-[[2-methyl-4-(2-methylhydrazinyl)quinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 70905376
1-[[3-[[4-(1,5-dimethylimidazol-2-yl)-2-methylquinolin-8-yl]oxymethyl]-4-methyl-2-pyridinyl]methyl]-4-(trifluoromethyl)pyridin-2-one
CID 71053246
1-[[3-[[4-[(E)-2-chloro-1-(ethylideneamino)prop-1-enyl]-2-methylquinolin-8-yl]oxymethyl]-4-methoxy-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 89018067
1-[[4-chloro-3-[[4-[(1E)-1-(dimethylamino)-2-fluorobuta-1,3-dienyl]-2-methylquinolin-8-yl]oxymethyl]-2-pyridinyl]methyl]-3-(trifluoromethyl)pyridin-2-one
CID 88952835

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]benzamide?
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]benzamide (CID 59484122) 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]benzamide.
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]benzamide?
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]benzamide is Cc1cc(-c2[nH]ncc2CNC(=O)c2ccccc2)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1.
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]benzamide?
The InChIKey is ZOOVERCXJIFGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29F3N6O3/c1-21-13-14-39-29(19-44-15-7-11-28(34(44)46)35(36,37)38)27(21)20-47-30-12-6-10-25-26(16-22(2)42-32(25)30)31-24(18-41-43-31)17-40-33(45)23-8-4-3-5-9-23/h3-16,18H,17,19-20H2,1-2H3,(H,40,45)(H,41,43).
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]benzamide?
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]benzamide has a molecular weight of 638.65 g/mol, XLogP of 6.37, 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]benzamide is sourced from PubChem (CID 59484122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).