5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

C110H72F16N16O5 — CID 159203428

IUPAC5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESC#Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)ncc34)cnc2C)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)ncc34)cnc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccccc5F)ncc34)cnc2C)cc1.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C29H17F5N4O.C27H17F5N4O2.C27H17F5N4O.C27H21FN4O/c1-3-17-9-10-19(13-23(17)29(32,33)34)37-28(39)22-12-18(14-35-16(22)2)20-7-5-11-38-25(20)15-36-27(38)21-6-4-8-24(30)26(21)31;1-15-21(26(37)35-17-7-9-18(10-8-17)38-27(30,31)32)12-16(13-33-15)19-5-3-11-36-23(19)14-34-25(36)20-4-2-6-22(28)24(20)29;1-15-7-9-17(10-8-15)35-26(37)20-12-16(13-33-24(20)27(30,31)32)18-5-3-11-36-22(18)14-34-25(36)19-4-2-6-21(28)23(19)29;1-17-9-11-20(12-10-17)31-27(33)23-14-19(15-29-18(23)2)21-7-5-13-32-25(21)16-30-26(32)22-6-3-4-8-24(22)28/h1,4-15H,2H3,(H,37,39);2-14H,1H3,(H,35,37);2-14H,1H3,(H,35,37);3-16H,1-2H3,(H,31,33)
InChIKeyKPORVUWFURBLLH-UHFFFAOYSA-N
MW2001.86 g/mol
LogP26.70
Rot. Bonds17

About 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide

5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 159203428) has the molecular formula C110H72F16N16O5 and a molecular weight of 2001.86 g/mol. Its IUPAC name is 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID159203428
Molecular FormulaC110H72F16N16O5
Molecular Weight2001.86 g/mol
Exact Mass2000.56
IUPAC Name5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESC#Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)ncc34)cnc2C)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)ncc34)cnc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccccc5F)ncc34)cnc2C)cc1.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C29H17F5N4O.C27H17F5N4O2.C27H17F5N4O.C27H21FN4O/c1-3-17-9-10-19(13-23(17)29(32,33)34)37-28(39)22-12-18(14-35-16(22)2)20-7-5-11-38-25(20)15-36-27(38)21-6-4-8-24(30)26(21)31;1-15-21(26(37)35-17-7-9-18(10-8-17)38-27(30,31)32)12-16(13-33-15)19-5-3-11-36-23(19)14-34-25(36)20-4-2-6-22(28)24(20)29;1-15-7-9-17(10-8-15)35-26(37)20-12-16(13-33-24(20)27(30,31)32)18-5-3-11-36-22(18)14-34-25(36)19-4-2-6-21(28)23(19)29;1-17-9-11-20(12-10-17)31-27(33)23-14-19(15-29-18(23)2)21-7-5-13-32-25(21)16-30-26(32)22-6-3-4-8-24(22)28/h1,4-15H,2H3,(H,37,39);2-14H,1H3,(H,35,37);2-14H,1H3,(H,35,37);3-16H,1-2H3,(H,31,33)
InChIKeyKPORVUWFURBLLH-UHFFFAOYSA-N
XLogP26.70
TPSA246.39 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms147
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002001.86
LogP ≤ 526.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide (CID 159203428) is 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is C#Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)ncc34)cnc2C)cc1C(F)(F)F.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)ncc34)cnc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccccc5F)ncc34)cnc2C)cc1.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is KPORVUWFURBLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17F5N4O.C27H17F5N4O2.C27H17F5N4O.C27H21FN4O/c1-3-17-9-10-19(13-23(17)29(32,33)34)37-28(39)22-12-18(14-35-16(22)2)20-7-5-11-38-25(20)15-36-27(38)21-6-4-8-24(30)26(21)31;1-15-21(26(37)35-17-7-9-18(10-8-17)38-27(30,31)32)12-16(13-33-15)19-5-3-11-36-23(19)14-34-25(36)20-4-2-6-22(28)24(20)29;1-15-7-9-17(10-8-15)35-26(37)20-12-16(13-33-24(20)27(30,31)32)18-5-3-11-36-22(18)14-34-25(36)19-4-2-6-21(28)23(19)29;1-17-9-11-20(12-10-17)31-27(33)23-14-19(15-29-18(23)2)21-7-5-13-32-25(21)16-30-26(32)22-6-3-4-8-24(22)28/h1,4-15H,2H3,(H,37,39);2-14H,1H3,(H,35,37);2-14H,1H3,(H,35,37);3-16H,1-2H3,(H,31,33).
What are the key properties of 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide?
5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 2001.86 g/mol, XLogP of 26.70, 17 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 159203428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).