N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide

C32H25F3N8O2 — CID 176699622

About N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide

N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide (PubChem CID 176699622) has the molecular formula C32H25F3N8O2 and a molecular weight of 610.60 g/mol. Its IUPAC name is N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide
• PubChem CID: 176699622
• Molecular Formula: C32H25F3N8O2
• Molecular Weight: 610.60 g/mol
• Exact Mass: 610.21
• IUPAC Name: N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide
• SMILES: Cc1cc(C(=O)NC2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)cc(C(F)(F)F)c1O
• InChI: InChI=1S/C32H25F3N8O2/c1-17-14-19(16-23(27(17)44)32(33,34)35)31(45)40-24-8-5-18-15-20(6-7-21(18)24)43-29(22-4-2-11-37-28(22)36)39-25-9-10-26(41-30(25)43)42-13-3-12-38-42/h2-4,6-7,9-16,24,44H,5,8H2,1H3,(H2,36,37)(H,40,45)
• InChIKey: LYTSHQQWRRHQPX-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 136.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.60
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide?

The IUPAC name of N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide (CID 176699622) is N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide?

The canonical SMILES for N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide is Cc1cc(C(=O)NC2CCc3cc(-n4c(-c5cccnc5N)nc5ccc(-n6cccn6)nc54)ccc32)cc(C(F)(F)F)c1O.

What is the InChIKey of N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide?

The InChIKey is LYTSHQQWRRHQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F3N8O2/c1-17-14-19(16-23(27(17)44)32(33,34)35)31(45)40-24-8-5-18-15-20(6-7-21(18)24)43-29(22-4-2-11-37-28(22)36)39-25-9-10-26(41-30(25)43)42-13-3-12-38-42/h2-4,6-7,9-16,24,44H,5,8H2,1H3,(H2,36,37)(H,40,45).

What are the key properties of N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide?

N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 610.60 g/mol, XLogP of 5.70, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(2-amino-3-pyridinyl)-5-pyrazol-1-ylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-3-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 176699622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).