N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

C21H19ClF3N7O3 — CID 157042284

About N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157042284) has the molecular formula C21H19ClF3N7O3 and a molecular weight of 509.88 g/mol. Its IUPAC name is N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
• PubChem CID: 157042284
• Molecular Formula: C21H19ClF3N7O3
• Molecular Weight: 509.88 g/mol
• Exact Mass: 509.12
• IUPAC Name: N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2cnc3nc(NC4=CC(C(F)(F)F)=CN(C)C4O)n(C)c3c2Cl)ccn1
• InChI: InChI=1S/C21H19ClF3N7O3/c1-10(33)28-15-7-12(4-5-26-15)35-14-8-27-18-17(16(14)22)32(3)20(30-18)29-13-6-11(21(23,24)25)9-31(2)19(13)34/h4-9,19,34H,1-3H3,(H,26,28,33)(H,27,29,30)
• InChIKey: KWJRIQDZXMQNLE-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 117.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.88
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 157042284) is N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2cnc3nc(NC4=CC(C(F)(F)F)=CN(C)C4O)n(C)c3c2Cl)ccn1.

What is the InChIKey of N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

The InChIKey is KWJRIQDZXMQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N7O3/c1-10(33)28-15-7-12(4-5-26-15)35-14-8-27-18-17(16(14)22)32(3)20(30-18)29-13-6-11(21(23,24)25)9-31(2)19(13)34/h4-9,19,34H,1-3H3,(H,26,28,33)(H,27,29,30).

What are the key properties of N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide?

N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 509.88 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-chloro-2-[[2-hydroxy-1-methyl-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157042284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).