[4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)

C33H30F6N6O8 — CID 87145637

About [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)

[4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87145637) has the molecular formula C33H30F6N6O8 and a molecular weight of 752.62 g/mol. Its IUPAC name is [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 87145637
• Molecular Formula: C33H30F6N6O8
• Molecular Weight: 752.62 g/mol
• Exact Mass: 752.20
• IUPAC Name: [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cn1ccnc1COc1cc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc(-c2nc3ncccc3[nH]2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C29H28N6O4.2C2HF3O2/c1-34-10-9-30-26(34)19-39-24-16-22(27-32-25-3-2-8-31-28(25)33-27)15-23(17-24)38-18-20-4-6-21(7-5-20)29(36)35-11-13-37-14-12-35;2*3-2(4,5)1(6)7/h2-10,15-17H,11-14,18-19H2,1H3,(H,31,32,33);2*(H,6,7)
• InChIKey: LHGRTNGZFZVHIR-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 181.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.62
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (CID 87145637) is [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is Cn1ccnc1COc1cc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc(-c2nc3ncccc3[nH]2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is LHGRTNGZFZVHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O4.2C2HF3O2/c1-34-10-9-30-26(34)19-39-24-16-22(27-32-25-3-2-8-31-28(25)33-27)15-23(17-24)38-18-20-4-6-21(7-5-20)29(36)35-11-13-37-14-12-35;2*3-2(4,5)1(6)7/h2-10,15-17H,11-14,18-19H2,1H3,(H,31,32,33);2*(H,6,7).

What are the key properties of [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?

[4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 752.62 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(1-methylimidazol-2-yl)methoxy]phenoxy]methyl]phenyl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87145637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).