2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide

C17H16F2N4O2S — CID 155597673

IUPAC2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2nc(-c3ccc(N=S(=O)(F)F)cc3)cn2c1
InChIInChI=1S/C17H16F2N4O2S/c1-11(2)20-17(24)13-5-8-16-21-15(10-23(16)9-13)12-3-6-14(7-4-12)22-26(18,19)25/h3-11H,1-2H3,(H,20,24)
InChIKeyJMKXAZVZQHLTMK-UHFFFAOYSA-N
MW378.40 g/mol
LogP4.01
Rot. Bonds4

About 2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide

2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 155597673) has the molecular formula C17H16F2N4O2S and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID155597673
Molecular FormulaC17H16F2N4O2S
Molecular Weight378.40 g/mol
Exact Mass378.10
IUPAC Name2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)NC(=O)c1ccc2nc(-c3ccc(N=S(=O)(F)F)cc3)cn2c1
InChIInChI=1S/C17H16F2N4O2S/c1-11(2)20-17(24)13-5-8-16-21-15(10-23(16)9-13)12-3-6-14(7-4-12)22-26(18,19)25/h3-11H,1-2H3,(H,20,24)
InChIKeyJMKXAZVZQHLTMK-UHFFFAOYSA-N
XLogP4.01
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
CID 3455990
2-[3-(3-hydroxypropylsulfamoylamino)phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide
CID 155597710
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72878617
tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate
CID 54128795
2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97192955
N-[(1S)-1-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 97194005
2-phenyl-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97207911
N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96571883
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
2-phenyl-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97198705
methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 24993510
2-(4-butan-2-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356930

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide (CID 155597673) is 2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide is CC(C)NC(=O)c1ccc2nc(-c3ccc(N=S(=O)(F)F)cc3)cn2c1.
What is the InChIKey of 2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is JMKXAZVZQHLTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O2S/c1-11(2)20-17(24)13-5-8-16-21-15(10-23(16)9-13)12-3-6-14(7-4-12)22-26(18,19)25/h3-11H,1-2H3,(H,20,24).
What are the key properties of 2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide?
2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 378.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 155597673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).