3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide

C21H15F3N4O3S — CID 67439231

IUPAC3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESNC(=O)c1ccn2c(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)cnc2c1
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)13-4-2-1-3-12(13)10-31-15-8-16(32-18(15)20(26)30)14-9-27-17-7-11(19(25)29)5-6-28(14)17/h1-9H,10H2,(H2,25,29)(H2,26,30)
InChIKeyNNRRVNWXIRVCJY-UHFFFAOYSA-N
MW460.44 g/mol
LogP3.86
Rot. Bonds6

About 3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide

3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 67439231) has the molecular formula C21H15F3N4O3S and a molecular weight of 460.44 g/mol. Its IUPAC name is 3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID67439231
Molecular FormulaC21H15F3N4O3S
Molecular Weight460.44 g/mol
Exact Mass460.08
IUPAC Name3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESNC(=O)c1ccn2c(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)cnc2c1
InChIInChI=1S/C21H15F3N4O3S/c22-21(23,24)13-4-2-1-3-12(13)10-31-15-8-16(32-18(15)20(26)30)14-9-27-17-7-11(19(25)29)5-6-28(14)17/h1-9H,10H2,(H2,25,29)(H2,26,30)
InChIKeyNNRRVNWXIRVCJY-UHFFFAOYSA-N
XLogP3.86
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide (CID 67439231) is 3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide is NC(=O)c1ccn2c(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)cnc2c1.
What is the InChIKey of 3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is NNRRVNWXIRVCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O3S/c22-21(23,24)13-4-2-1-3-12(13)10-31-15-8-16(32-18(15)20(26)30)14-9-27-17-7-11(19(25)29)5-6-28(14)17/h1-9H,10H2,(H2,25,29)(H2,26,30).
What are the key properties of 3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide?
3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 460.44 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 67439231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).