N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid

C40H31F6N7O4 — CID 159024149

IUPACN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.O=C(O)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C25H22F3N5O2.C15H9F3N2O2/c26-25(27,28)18-5-1-4-17(14-18)21-16-33-9-3-7-20(23(33)30-21)24(34)31-22-8-2-6-19(29-22)15-32-10-12-35-13-11-32;16-15(17,18)10-4-1-3-9(7-10)12-8-20-6-2-5-11(14(21)22)13(20)19-12/h1-9,14,16H,10-13,15H2,(H,29,31,34);1-8H,(H,21,22)
InChIKeyJUBTWCREPUTAFL-UHFFFAOYSA-N
MW787.72 g/mol
LogP8.22
Rot. Bonds7

About N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid

N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 159024149) has the molecular formula C40H31F6N7O4 and a molecular weight of 787.72 g/mol. Its IUPAC name is N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound NameN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID159024149
Molecular FormulaC40H31F6N7O4
Molecular Weight787.72 g/mol
Exact Mass787.23
IUPAC NameN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.O=C(O)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C25H22F3N5O2.C15H9F3N2O2/c26-25(27,28)18-5-1-4-17(14-18)21-16-33-9-3-7-20(23(33)30-21)24(34)31-22-8-2-6-19(29-22)15-32-10-12-35-13-11-32;16-15(17,18)10-4-1-3-9(7-10)12-8-20-6-2-5-11(14(21)22)13(20)19-12/h1-9,14,16H,10-13,15H2,(H,29,31,34);1-8H,(H,21,22)
InChIKeyJUBTWCREPUTAFL-UHFFFAOYSA-N
XLogP8.22
TPSA126.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.72
LogP ≤ 58.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

US10087188, Example 23
CID 121455635
US10087188, Example 24
CID 121455749
6-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]pyridine-3-carboxylic acid
CID 117728019
4-(8-fluoroimidazo [1,2-a]pyridin-3-yl)-7-((5-(4-hydroxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-2,3-dihydro-1H-pyrrolo[3,4-c)pyridin-1-one
CID 156164327
US11186579, Example 2
CID 146307393
2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 90463665
7-((5-(4-hydroxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-4-(imidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156164032
6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid
CID 154965271
Methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-methoxyethylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155554029
Methyl 2-imidazo[1,2-a]pyridin-6-yl-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155566957
3-((5-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)pyridin-2-yl)carbamoyl)-2-fluorobenzoic acid
CID 176268011
3-((4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)-2-fluorophenyl)carbamoyl)-2-fluorobenzoic acid
CID 176268020

Frequently Asked Questions

What is the IUPAC name of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid (CID 159024149) is N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(Nc1cccc(CN2CCOCC2)n1)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.O=C(O)c1cccn2cc(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is JUBTWCREPUTAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2.C15H9F3N2O2/c26-25(27,28)18-5-1-4-17(14-18)21-16-33-9-3-7-20(23(33)30-21)24(34)31-22-8-2-6-19(29-22)15-32-10-12-35-13-11-32;16-15(17,18)10-4-1-3-9(7-10)12-8-20-6-2-5-11(14(21)22)13(20)19-12/h1-9,14,16H,10-13,15H2,(H,29,31,34);1-8H,(H,21,22).
What are the key properties of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid?
N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 787.72 g/mol, XLogP of 8.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxamide;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 159024149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).