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

C27H30ClF3N8O4 — CID 170122225

About N-[4-[7-chloro-2-[[2-hydroxy-1-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 170122225) has the molecular formula C27H30ClF3N8O4 and a molecular weight of 623.04 g/mol. Its IUPAC name is N-[4-[7-chloro-2-[[2-hydroxy-1-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
• PubChem CID: 170122225
• Molecular Formula: C27H30ClF3N8O4
• Molecular Weight: 623.04 g/mol
• Exact Mass: 622.20
• IUPAC Name: N-[4-[7-chloro-2-[[2-hydroxy-1-(3-morpholin-4-ylpropyl)-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(CCCN5CCOCC5)C4O)n(C)c3c2Cl)ccn1
• InChI: InChI=1S/C27H30ClF3N8O4/c1-16(40)34-21-13-18(4-5-32-21)43-20-14-33-24-23(22(20)28)37(2)26(36-24)35-19-12-17(27(29,30)31)15-39(25(19)41)7-3-6-38-8-10-42-11-9-38/h4-5,12-15,25,41H,3,6-11H2,1-2H3,(H,32,34,40)(H,33,35,36)
• InChIKey: OCPDQBZHPQCSSQ-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 129.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.04
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-chloro-2-[[2-hydroxy-1-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide (CID 170122225) is N-[4-[7-chloro-2-[[2-hydroxy-1-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-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(CCCN5CCOCC5)C4O)n(C)c3c2Cl)ccn1.

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

The InChIKey is OCPDQBZHPQCSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClF3N8O4/c1-16(40)34-21-13-18(4-5-32-21)43-20-14-33-24-23(22(20)28)37(2)26(36-24)35-19-12-17(27(29,30)31)15-39(25(19)41)7-3-6-38-8-10-42-11-9-38/h4-5,12-15,25,41H,3,6-11H2,1-2H3,(H,32,34,40)(H,33,35,36).

What are the key properties of N-[4-[7-chloro-2-[[2-hydroxy-1-(3-morpholin-4-ylpropyl)-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-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 623.04 g/mol, XLogP of 3.87, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-chloro-2-[[2-hydroxy-1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)-2H-pyridin-3-yl]amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 170122225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).