N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide

C19H20F3N5O4S — CID 142621003

About N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide

N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide (PubChem CID 142621003) has the molecular formula C19H20F3N5O4S and a molecular weight of 471.46 g/mol. Its IUPAC name is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide
• PubChem CID: 142621003
• Molecular Formula: C19H20F3N5O4S
• Molecular Weight: 471.46 g/mol
• Exact Mass: 471.12
• IUPAC Name: N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide
• SMILES: CCS(=O)(=O)c1cc(NC(=O)C(C)(C)O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
• InChI: InChI=1S/C19H20F3N5O4S/c1-5-32(30,31)13-6-10(25-17(28)18(2,3)29)8-24-15(13)16-26-11-7-14(19(20,21)22)23-9-12(11)27(16)4/h6-9,29H,5H2,1-4H3,(H,25,28)
• InChIKey: LBEAPTCCVIXCDC-UHFFFAOYSA-N
• XLogP: 2.55
• TPSA: 127.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.46
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide?

The IUPAC name of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide (CID 142621003) is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide.

What is the SMILES notation for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide?

The canonical SMILES for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide is CCS(=O)(=O)c1cc(NC(=O)C(C)(C)O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.

What is the InChIKey of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide?

The InChIKey is LBEAPTCCVIXCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O4S/c1-5-32(30,31)13-6-10(25-17(28)18(2,3)29)8-24-15(13)16-26-11-7-14(19(20,21)22)23-9-12(11)27(16)4/h6-9,29H,5H2,1-4H3,(H,25,28).

What are the key properties of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide?

N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 471.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 142621003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).