6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline

C65H56N18O2 — CID 87411686

About 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline

6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 87411686) has the molecular formula C65H56N18O2 and a molecular weight of 1121.29 g/mol. Its IUPAC name is 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

• Compound Name: 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
• PubChem CID: 87411686
• Molecular Formula: C65H56N18O2
• Molecular Weight: 1121.29 g/mol
• Exact Mass: 1120.48
• IUPAC Name: 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
• SMILES: Cn1cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1.c1cnc2ccc(Cn3cnc4ccc(-c5cn[nH]c5)nc43)cc2c1.c1cnc2ccc(Cn3cnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1
• InChI: InChI=1S/C26H26N6O2.C20H16N6.C19H14N6/c1-2-12-33-25(5-1)34-13-11-32-17-21(15-29-32)23-8-9-24-26(30-23)31(18-28-24)16-19-6-7-22-20(14-19)4-3-10-27-22;1-25-12-16(10-23-25)18-6-7-19-20(24-18)26(13-22-19)11-14-4-5-17-15(9-14)3-2-8-21-17;1-2-14-8-13(3-4-16(14)20-7-1)11-25-12-21-18-6-5-17(24-19(18)25)15-9-22-23-10-15/h3-4,6-10,14-15,17-18,25H,1-2,5,11-13,16H2;2-10,12-13H,11H2,1H3;1-10,12H,11H2,(H,22,23)
• InChIKey: OWDHMDPNYUCOLS-UHFFFAOYSA-N
• XLogP: 11.28
• TPSA: 213.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1121.29
LogP ≤ 5	11.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?

The IUPAC name of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 87411686) is 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline.

What is the SMILES notation for 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?

The canonical SMILES for 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline is Cn1cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cn1.c1cnc2ccc(Cn3cnc4ccc(-c5cn[nH]c5)nc43)cc2c1.c1cnc2ccc(Cn3cnc4ccc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1.

What is the InChIKey of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?

The InChIKey is OWDHMDPNYUCOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2.C20H16N6.C19H14N6/c1-2-12-33-25(5-1)34-13-11-32-17-21(15-29-32)23-8-9-24-26(30-23)31(18-28-24)16-19-6-7-22-20(14-19)4-3-10-27-22;1-25-12-16(10-23-25)18-6-7-19-20(24-18)26(13-22-19)11-14-4-5-17-15(9-14)3-2-8-21-17;1-2-14-8-13(3-4-16(14)20-7-1)11-25-12-21-18-6-5-17(24-19(18)25)15-9-22-23-10-15/h3-4,6-10,14-15,17-18,25H,1-2,5,11-13,16H2;2-10,12-13H,11H2,1H3;1-10,12H,11H2,(H,22,23).

What are the key properties of 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline?

6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 1121.29 g/mol, XLogP of 11.28, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-[1-[2-(oxan-2-yloxy)ethyl]pyrazol-4-yl]imidazo[4,5-b]pyridin-3-yl]methyl]quinoline;6-[[5-(1H-pyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 87411686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).