N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C23H16F3N5O3S — CID 90012621

IUPACN-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C23H16F3N5O3S/c24-23(25,26)19-14-31-13-18(6-8-21(31)29-19)35(33,34)17-4-1-15(2-5-17)11-28-22(32)16-3-7-20-27-9-10-30(20)12-16/h1-10,12-14H,11H2,(H,28,32)
InChIKeyUJKADFZBNBKANB-UHFFFAOYSA-N
MW499.47 g/mol
LogP3.76
Rot. Bonds5

About N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90012621) has the molecular formula C23H16F3N5O3S and a molecular weight of 499.47 g/mol. Its IUPAC name is N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90012621
Molecular FormulaC23H16F3N5O3S
Molecular Weight499.47 g/mol
Exact Mass499.09
IUPAC NameN-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C23H16F3N5O3S/c24-23(25,26)19-14-31-13-18(6-8-21(31)29-19)35(33,34)17-4-1-15(2-5-17)11-28-22(32)16-3-7-20-27-9-10-30(20)12-16/h1-10,12-14H,11H2,(H,28,32)
InChIKeyUJKADFZBNBKANB-UHFFFAOYSA-N
XLogP3.76
TPSA97.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90012621) is N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2ccc3nc(C(F)(F)F)cn3c2)cc1)c1ccc2nccn2c1.
What is the InChIKey of N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is UJKADFZBNBKANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O3S/c24-23(25,26)19-14-31-13-18(6-8-21(31)29-19)35(33,34)17-4-1-15(2-5-17)11-28-22(32)16-3-7-20-27-9-10-30(20)12-16/h1-10,12-14H,11H2,(H,28,32).
What are the key properties of N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 499.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90012621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).