2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine

C25H23FN6 — CID 71226513

About 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine

2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine (PubChem CID 71226513) has the molecular formula C25H23FN6 and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

• Compound Name: 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine
• PubChem CID: 71226513
• Molecular Formula: C25H23FN6
• Molecular Weight: 426.50 g/mol
• Exact Mass: 426.20
• IUPAC Name: 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine
• SMILES: Cc1cc(F)ccc1C1CCCn2cc(-c3cc4nc(-c5cnn(C)c5)ccc4[nH]3)nc21
• InChI: InChI=1S/C25H23FN6/c1-15-10-17(26)5-6-18(15)19-4-3-9-32-14-24(30-25(19)32)23-11-22-21(29-23)8-7-20(28-22)16-12-27-31(2)13-16/h5-8,10-14,19,29H,3-4,9H2,1-2H3
• InChIKey: VCYWYCQVZYLCKS-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 64.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.50
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine?

The IUPAC name of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine (CID 71226513) is 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine.

What is the SMILES notation for 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine?

The canonical SMILES for 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine is Cc1cc(F)ccc1C1CCCn2cc(-c3cc4nc(-c5cnn(C)c5)ccc4[nH]3)nc21.

What is the InChIKey of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine?

The InChIKey is VCYWYCQVZYLCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6/c1-15-10-17(26)5-6-18(15)19-4-3-9-32-14-24(30-25(19)32)23-11-22-21(29-23)8-7-20(28-22)16-12-27-31(2)13-16/h5-8,10-14,19,29H,3-4,9H2,1-2H3.

What are the key properties of 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine?

2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 426.50 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(4-fluoro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 71226513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).