N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride

C24H24Cl2FN7OS — CID 68812081

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride (PubChem CID 68812081) has the molecular formula C24H24Cl2FN7OS and a molecular weight of 548.48 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride
• PubChem CID: 68812081
• Molecular Formula: C24H24Cl2FN7OS
• Molecular Weight: 548.48 g/mol
• Exact Mass: 547.11
• IUPAC Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride
• SMILES: Cc1[nH]ncc1-c1ccc2ncc(-c3ccc(C(=O)Nc4nnc(C(C)(C)C)s4)c(F)c3)n2c1.Cl.Cl
• InChI: InChI=1S/C24H22FN7OS.2ClH/c1-13-17(10-27-29-13)15-6-8-20-26-11-19(32(20)12-15)14-5-7-16(18(25)9-14)21(33)28-23-31-30-22(34-23)24(2,3)4;;/h5-12H,1-4H3,(H,27,29)(H,28,31,33);2*1H
• InChIKey: NDPXOTJTLSEUGS-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 100.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.48
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride?

The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride (CID 68812081) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride.

What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride?

The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride is Cc1[nH]ncc1-c1ccc2ncc(-c3ccc(C(=O)Nc4nnc(C(C)(C)C)s4)c(F)c3)n2c1.Cl.Cl.

What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride?

The InChIKey is NDPXOTJTLSEUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7OS.2ClH/c1-13-17(10-27-29-13)15-6-8-20-26-11-19(32(20)12-15)14-5-7-16(18(25)9-14)21(33)28-23-31-30-22(34-23)24(2,3)4;;/h5-12H,1-4H3,(H,27,29)(H,28,31,33);2*1H.

What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride?

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride has a molecular weight of 548.48 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-fluoro-4-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]benzamide;dihydrochloride is sourced from PubChem (CID 68812081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).