2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide

C54H42F4N10O6 — CID 123857211

IUPAC2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
SMILESCc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1
InChIInChI=1S/C19H14F3N3O2.C18H15N3O2.C17H13FN4O2/c1-12-4-2-5-13(10-12)18(26)25-16-6-3-7-17(24-16)27-14-8-9-15(23-11-14)19(20,21)22;1-13-4-2-5-14(8-13)18(22)21-15-9-17(12-20-10-15)23-16-6-3-7-19-11-16;1-11-2-3-16(18)15(4-11)17(23)22-12-5-13(7-19-6-12)24-14-8-20-10-21-9-14/h2-11H,1H3,(H,24,25,26);2-12H,1H3,(H,21,22);2-10H,1H3,(H,22,23)
InChIKeyJIUDQZTXPJPJNQ-UHFFFAOYSA-N
MW1002.99 g/mol
LogP12.04
Rot. Bonds12

About 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide

2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide (PubChem CID 123857211) has the molecular formula C54H42F4N10O6 and a molecular weight of 1002.99 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
PubChem CID123857211
Molecular FormulaC54H42F4N10O6
Molecular Weight1002.99 g/mol
Exact Mass1002.32
IUPAC Name2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide
SMILESCc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1
InChIInChI=1S/C19H14F3N3O2.C18H15N3O2.C17H13FN4O2/c1-12-4-2-5-13(10-12)18(26)25-16-6-3-7-17(24-16)27-14-8-9-15(23-11-14)19(20,21)22;1-13-4-2-5-14(8-13)18(22)21-15-9-17(12-20-10-15)23-16-6-3-7-19-11-16;1-11-2-3-16(18)15(4-11)17(23)22-12-5-13(7-19-6-12)24-14-8-20-10-21-9-14/h2-11H,1H3,(H,24,25,26);2-12H,1H3,(H,21,22);2-10H,1H3,(H,22,23)
InChIKeyJIUDQZTXPJPJNQ-UHFFFAOYSA-N
XLogP12.04
TPSA205.22 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001002.99
LogP ≤ 512.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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Related Compounds

N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 25123829
N-(2,6-difluorophenyl)-3-(3-(2-(2-methoxy-4-(4-morpholinopiperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571814
N-(2,6-difluorophenyl)-3-(3-(2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571817
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 25124474
N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452611
N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]-8-methylimidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452625
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(propyloxy)phenyl]amino}-4-pyrimidinyl)-imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452683
3-[3-[2-[4-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-ethoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452689
N-(2,6-difluorophenyl)-3-[3-[2-[4-(4-piperidin-1-ylpiperidin-1-yl)-2-propan-2-yloxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452702
N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452716
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-fluoroimidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452730
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]-7-methoxyimidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452740

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide (CID 123857211) is 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide is Cc1ccc(F)c(C(=O)Nc2cncc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1.Cc1cccc(C(=O)Nc2cncc(Oc3cccnc3)c2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
The InChIKey is JIUDQZTXPJPJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2.C18H15N3O2.C17H13FN4O2/c1-12-4-2-5-13(10-12)18(26)25-16-6-3-7-17(24-16)27-14-8-9-15(23-11-14)19(20,21)22;1-13-4-2-5-14(8-13)18(22)21-15-9-17(12-20-10-15)23-16-6-3-7-19-11-16;1-11-2-3-16(18)15(4-11)17(23)22-12-5-13(7-19-6-12)24-14-8-20-10-21-9-14/h2-11H,1H3,(H,24,25,26);2-12H,1H3,(H,21,22);2-10H,1H3,(H,22,23).
What are the key properties of 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide?
2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide has a molecular weight of 1002.99 g/mol, XLogP of 12.04, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(5-pyrimidin-5-yloxy-3-pyridinyl)benzamide;3-methyl-N-(5-pyridin-3-yloxy-3-pyridinyl)benzamide;3-methyl-N-[6-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 123857211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).