N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

C18H15FN6OS — CID 72878617

IUPACN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)c1nnc(N)s1
InChIInChI=1S/C18H15FN6OS/c1-10(17-23-24-18(20)27-17)21-16(26)12-4-7-15-22-14(9-25(15)8-12)11-2-5-13(19)6-3-11/h2-10H,1H3,(H2,20,24)(H,21,26)
InChIKeyVQRRWELQLLAWAE-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.07
Rot. Bonds4

About N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 72878617) has the molecular formula C18H15FN6OS and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID72878617
Molecular FormulaC18H15FN6OS
Molecular Weight382.42 g/mol
Exact Mass382.10
IUPAC NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)c1nnc(N)s1
InChIInChI=1S/C18H15FN6OS/c1-10(17-23-24-18(20)27-17)21-16(26)12-4-7-15-22-14(9-25(15)8-12)11-2-5-13(19)6-3-11/h2-10H,1H3,(H2,20,24)(H,21,26)
InChIKeyVQRRWELQLLAWAE-UHFFFAOYSA-N
XLogP3.07
TPSA98.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97192955
2-[4-[[difluoro(oxo)-λ6-sulfanylidene]amino]phenyl]-N-propan-2-ylimidazo[1,2-a]pyridine-6-carboxamide
CID 155597673
N-[(2R)-2-[ethyl(methyl)amino]butyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 97192179
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72874953
2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
CID 3455990
tert-butyl 2-[[2-(4-cyanophenyl)imidazo[1,2-a]pyridine-6-carbonyl]amino]propanoate
CID 54128795
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 72890538
2-phenyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97196202
N-[1-[2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carbonyl]pyrrolidin-3-yl]acetamide
CID 72940598
N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96571883

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 72878617) is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide is CC(NC(=O)c1ccc2nc(-c3ccc(F)cc3)cn2c1)c1nnc(N)s1.
What is the InChIKey of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is VQRRWELQLLAWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6OS/c1-10(17-23-24-18(20)27-17)21-16(26)12-4-7-15-22-14(9-25(15)8-12)11-2-5-13(19)6-3-11/h2-10H,1H3,(H2,20,24)(H,21,26).
What are the key properties of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide?
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 72878617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).