N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide

C19H18F3N3OS — CID 56508541

IUPACN-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCC(C)Sc1ccc(NC(=O)c2ccc3nccn3c2)c(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3OS/c1-3-12(2)27-14-5-6-16(15(10-14)19(20,21)22)24-18(26)13-4-7-17-23-8-9-25(17)11-13/h4-12H,3H2,1-2H3,(H,24,26)
InChIKeyVWKAECVYGLVALL-UHFFFAOYSA-N
MW393.43 g/mol
LogP5.50
Rot. Bonds5

About N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 56508541) has the molecular formula C19H18F3N3OS and a molecular weight of 393.43 g/mol. Its IUPAC name is N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID56508541
Molecular FormulaC19H18F3N3OS
Molecular Weight393.43 g/mol
Exact Mass393.11
IUPAC NameN-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCC(C)Sc1ccc(NC(=O)c2ccc3nccn3c2)c(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3OS/c1-3-12(2)27-14-5-6-16(15(10-14)19(20,21)22)24-18(26)13-4-7-17-23-8-9-25(17)11-13/h4-12H,3H2,1-2H3,(H,24,26)
InChIKeyVWKAECVYGLVALL-UHFFFAOYSA-N
XLogP5.50
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.43
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 56508541) is N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide is CCC(C)Sc1ccc(NC(=O)c2ccc3nccn3c2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is VWKAECVYGLVALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3OS/c1-3-12(2)27-14-5-6-16(15(10-14)19(20,21)22)24-18(26)13-4-7-17-23-8-9-25(17)11-13/h4-12H,3H2,1-2H3,(H,24,26).
What are the key properties of N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 393.43 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-butan-2-ylsulfanyl-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 56508541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).