6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide

C29H23F3N4O4 — CID 90095373

IUPAC6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(C(F)(F)F)c4)cn23)cc(OC)c1OC
InChIInChI=1S/C29H23F3N4O4/c1-38-23-13-20(14-24(39-2)27(23)40-3)35-28(37)22-15-34-25-10-9-18(16-36(22)25)21-8-5-11-33-26(21)17-6-4-7-19(12-17)29(30,31)32/h4-16H,1-3H3,(H,35,37)
InChIKeyZSEQZTWZOYXLFQ-UHFFFAOYSA-N
MW548.52 g/mol
LogP6.36
Rot. Bonds7

About 6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide

6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90095373) has the molecular formula C29H23F3N4O4 and a molecular weight of 548.52 g/mol. Its IUPAC name is 6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90095373
Molecular FormulaC29H23F3N4O4
Molecular Weight548.52 g/mol
Exact Mass548.17
IUPAC Name6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(C(F)(F)F)c4)cn23)cc(OC)c1OC
InChIInChI=1S/C29H23F3N4O4/c1-38-23-13-20(14-24(39-2)27(23)40-3)35-28(37)22-15-34-25-10-9-18(16-36(22)25)21-8-5-11-33-26(21)17-6-4-7-19(12-17)29(30,31)32/h4-16H,1-3H3,(H,35,37)
InChIKeyZSEQZTWZOYXLFQ-UHFFFAOYSA-N
XLogP6.36
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.52
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90095373) is 6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide is COc1cc(NC(=O)c2cnc3ccc(-c4cccnc4-c4cccc(C(F)(F)F)c4)cn23)cc(OC)c1OC.
What is the InChIKey of 6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZSEQZTWZOYXLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N4O4/c1-38-23-13-20(14-24(39-2)27(23)40-3)35-28(37)22-15-34-25-10-9-18(16-36(22)25)21-8-5-11-33-26(21)17-6-4-7-19(12-17)29(30,31)32/h4-16H,1-3H3,(H,35,37).
What are the key properties of 6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 548.52 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90095373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).