N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide

C26H19F3N6O2 — CID 58345113

About N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide

N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 58345113) has the molecular formula C26H19F3N6O2 and a molecular weight of 504.47 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide
• PubChem CID: 58345113
• Molecular Formula: C26H19F3N6O2
• Molecular Weight: 504.47 g/mol
• Exact Mass: 504.15
• IUPAC Name: N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide
• SMILES: Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1
• InChI: InChI=1S/C26H19F3N6O2/c27-26(28,29)37-19-11-7-17(8-12-19)25(36)33-15-16-5-9-18(10-6-16)35-23(20-3-1-13-31-22(20)30)34-21-4-2-14-32-24(21)35/h1-14H,15H2,(H2,30,31)(H,33,36)
• InChIKey: HQGMGYHGECAISK-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 107.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.47
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide?

The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide (CID 58345113) is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide.

What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide?

The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide is Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)c2ccc(OC(F)(F)F)cc2)cc1.

What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide?

The InChIKey is HQGMGYHGECAISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O2/c27-26(28,29)37-19-11-7-17(8-12-19)25(36)33-15-16-5-9-18(10-6-16)35-23(20-3-1-13-31-22(20)30)34-21-4-2-14-32-24(21)35/h1-14H,15H2,(H2,30,31)(H,33,36).

What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide?

N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 504.47 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 58345113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).