5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide

C84H61F11N12O3 — CID 158159228

IUPAC5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CN)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5C)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccncc5)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C29H21F5N4O.C28H21F3N4O.C27H19F3N4O/c1-16-7-10-18(11-8-16)36-28(39)21-14-17(9-12-22(21)29(32,33)34)19-5-3-13-38-26(24(15-35)37-27(19)38)20-4-2-6-23(30)25(20)31;1-17-7-10-20(11-8-17)34-27(36)23-15-19(9-12-24(23)28(29,30)31)22-6-4-14-35-25(16-33-26(22)35)21-5-3-13-32-18(21)2;1-17-4-7-20(8-5-17)33-26(35)22-15-19(6-9-23(22)27(28,29)30)21-3-2-14-34-24(16-32-25(21)34)18-10-12-31-13-11-18/h2-14H,15,35H2,1H3,(H,36,39);3-16H,1-2H3,(H,34,36);2-16H,1H3,(H,33,35)
InChIKeyFWBIQNQGUYPHFH-UHFFFAOYSA-N
MW1495.47 g/mol
LogP20.58
Rot. Bonds13

About 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide

5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (PubChem CID 158159228) has the molecular formula C84H61F11N12O3 and a molecular weight of 1495.47 g/mol. Its IUPAC name is 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
PubChem CID158159228
Molecular FormulaC84H61F11N12O3
Molecular Weight1495.47 g/mol
Exact Mass1494.48
IUPAC Name5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CN)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5C)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccncc5)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C29H21F5N4O.C28H21F3N4O.C27H19F3N4O/c1-16-7-10-18(11-8-16)36-28(39)21-14-17(9-12-22(21)29(32,33)34)19-5-3-13-38-26(24(15-35)37-27(19)38)20-4-2-6-23(30)25(20)31;1-17-7-10-20(11-8-17)34-27(36)23-15-19(9-12-24(23)28(29,30)31)22-6-4-14-35-25(16-33-26(22)35)21-5-3-13-32-18(21)2;1-17-4-7-20(8-5-17)33-26(35)22-15-19(6-9-23(22)27(28,29)30)21-3-2-14-34-24(16-32-25(21)34)18-10-12-31-13-11-18/h2-14H,15,35H2,1H3,(H,36,39);3-16H,1-2H3,(H,34,36);2-16H,1H3,(H,33,35)
InChIKeyFWBIQNQGUYPHFH-UHFFFAOYSA-N
XLogP20.58
TPSA191.00 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001495.47
LogP ≤ 520.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (CID 158159228) is 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CN)nc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccnc5C)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccncc5)cnc34)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is FWBIQNQGUYPHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F5N4O.C28H21F3N4O.C27H19F3N4O/c1-16-7-10-18(11-8-16)36-28(39)21-14-17(9-12-22(21)29(32,33)34)19-5-3-13-38-26(24(15-35)37-27(19)38)20-4-2-6-23(30)25(20)31;1-17-7-10-20(11-8-17)34-27(36)23-15-19(9-12-24(23)28(29,30)31)22-6-4-14-35-25(16-33-26(22)35)21-5-3-13-32-18(21)2;1-17-4-7-20(8-5-17)33-26(35)22-15-19(6-9-23(22)27(28,29)30)21-3-2-14-34-24(16-32-25(21)34)18-10-12-31-13-11-18/h2-14H,15,35H2,1H3,(H,36,39);3-16H,1-2H3,(H,34,36);2-16H,1H3,(H,33,35).
What are the key properties of 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 1495.47 g/mol, XLogP of 20.58, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(aminomethyl)-3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-[3-(2-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridin-4-ylimidazo[1,2-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 158159228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).