3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide

C26H24F3N5O4 — CID 163793656

IUPAC3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCOc1cc(-c2cnc3cc(C(=O)NCc4ccc(C)nc4)ccn23)cc(OC)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C26H24F3N5O4/c1-15-4-5-16(11-30-15)12-32-24(35)17-6-7-34-19(13-31-22(34)10-17)18-8-20(37-2)23(21(9-18)38-3)25(36)33-14-26(27,28)29/h4-11,13H,12,14H2,1-3H3,(H,32,35)(H,33,36)
InChIKeyMYYIXDJCLRMEBI-UHFFFAOYSA-N
MW527.50 g/mol
LogP3.94
Rot. Bonds8

About 3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide

3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 163793656) has the molecular formula C26H24F3N5O4 and a molecular weight of 527.50 g/mol. Its IUPAC name is 3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID163793656
Molecular FormulaC26H24F3N5O4
Molecular Weight527.50 g/mol
Exact Mass527.18
IUPAC Name3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESCOc1cc(-c2cnc3cc(C(=O)NCc4ccc(C)nc4)ccn23)cc(OC)c1C(=O)NCC(F)(F)F
InChIInChI=1S/C26H24F3N5O4/c1-15-4-5-16(11-30-15)12-32-24(35)17-6-7-34-19(13-31-22(34)10-17)18-8-20(37-2)23(21(9-18)38-3)25(36)33-14-26(27,28)29/h4-11,13H,12,14H2,1-3H3,(H,32,35)(H,33,36)
InChIKeyMYYIXDJCLRMEBI-UHFFFAOYSA-N
XLogP3.94
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 163793656) is 3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide is COc1cc(-c2cnc3cc(C(=O)NCc4ccc(C)nc4)ccn23)cc(OC)c1C(=O)NCC(F)(F)F.
What is the InChIKey of 3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is MYYIXDJCLRMEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O4/c1-15-4-5-16(11-30-15)12-32-24(35)17-6-7-34-19(13-31-22(34)10-17)18-8-20(37-2)23(21(9-18)38-3)25(36)33-14-26(27,28)29/h4-11,13H,12,14H2,1-3H3,(H,32,35)(H,33,36).
What are the key properties of 3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide?
3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 527.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-N-[(6-methyl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 163793656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).