N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H16F5N7OS — CID 158370310

About N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 158370310) has the molecular formula C20H16F5N7OS and a molecular weight of 497.45 g/mol. Its IUPAC name is N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
• PubChem CID: 158370310
• Molecular Formula: C20H16F5N7OS
• Molecular Weight: 497.45 g/mol
• Exact Mass: 497.11
• IUPAC Name: N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
• SMILES: C=S(C)(C)=Nc1ncc(NC(=O)c2cnn(-c3ccc(F)c4nccn34)c2C(F)(F)F)cc1F
• InChI: InChI=1S/C20H16F5N7OS/c1-34(2,3)30-17-14(22)8-11(9-27-17)29-19(33)12-10-28-32(16(12)20(23,24)25)15-5-4-13(21)18-26-6-7-31(15)18/h4-10H,1H2,2-3H3,(H,29,33)
• InChIKey: GUNLBUHYQGWARB-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.45
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The IUPAC name of N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 158370310) is N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

What is the SMILES notation for N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The canonical SMILES for N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is C=S(C)(C)=Nc1ncc(NC(=O)c2cnn(-c3ccc(F)c4nccn34)c2C(F)(F)F)cc1F.

What is the InChIKey of N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

The InChIKey is GUNLBUHYQGWARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F5N7OS/c1-34(2,3)30-17-14(22)8-11(9-27-17)29-19(33)12-10-28-32(16(12)20(23,24)25)15-5-4-13(21)18-26-6-7-31(15)18/h4-10H,1H2,2-3H3,(H,29,33).

What are the key properties of N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?

N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 497.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[dimethyl(methylidene)-λ6-sulfanylidene]amino]-5-fluoro-3-pyridinyl]-1-(8-fluoroimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 158370310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).