8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C16H9Cl2F3N4O2 — CID 2726004

IUPAC8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H9Cl2F3N4O2/c17-9-1-3-10(4-2-9)22-15(27)24-14(26)12-7-25-6-8(16(19,20)21)5-11(18)13(25)23-12/h1-7H,(H2,22,24,26,27)
InChIKeyURTHYWBSDPKQSD-UHFFFAOYSA-N
MW417.17 g/mol
LogP4.62
Rot. Bonds2

About 8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 2726004) has the molecular formula C16H9Cl2F3N4O2 and a molecular weight of 417.17 g/mol. Its IUPAC name is 8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID2726004
Molecular FormulaC16H9Cl2F3N4O2
Molecular Weight417.17 g/mol
Exact Mass416.01
IUPAC Name8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C16H9Cl2F3N4O2/c17-9-1-3-10(4-2-9)22-15(27)24-14(26)12-7-25-6-8(16(19,20)21)5-11(18)13(25)23-12/h1-7H,(H2,22,24,26,27)
InChIKeyURTHYWBSDPKQSD-UHFFFAOYSA-N
XLogP4.62
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.17
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 2726004) is 8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1)Nc1ccc(Cl)cc1.
What is the InChIKey of 8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is URTHYWBSDPKQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N4O2/c17-9-1-3-10(4-2-9)22-15(27)24-14(26)12-7-25-6-8(16(19,20)21)5-11(18)13(25)23-12/h1-7H,(H2,22,24,26,27).
What are the key properties of 8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?
8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 417.17 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(4-chlorophenyl)carbamoyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 2726004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).