5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

C28H27N9O — CID 159566958

About 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile

5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 159566958) has the molecular formula C28H27N9O and a molecular weight of 505.59 g/mol. Its IUPAC name is 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
• PubChem CID: 159566958
• Molecular Formula: C28H27N9O
• Molecular Weight: 505.59 g/mol
• Exact Mass: 505.23
• IUPAC Name: 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
• SMILES: COc1ccccc1CN1CCN(c2cnc(-c3cc(-c4cnn(C)c4)cc4ncc(C#N)n34)cn2)CC1
• InChI: InChI=1S/C28H27N9O/c1-34-18-22(14-33-34)21-11-25(37-23(13-29)15-31-27(37)12-21)24-16-32-28(17-30-24)36-9-7-35(8-10-36)19-20-5-3-4-6-26(20)38-2/h3-6,11-12,14-18H,7-10,19H2,1-2H3
• InChIKey: MHIAYRIROMEHSF-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 100.40 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.59
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

The IUPAC name of 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile (CID 159566958) is 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile.

What is the SMILES notation for 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

The canonical SMILES for 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is COc1ccccc1CN1CCN(c2cnc(-c3cc(-c4cnn(C)c4)cc4ncc(C#N)n34)cn2)CC1.

What is the InChIKey of 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

The InChIKey is MHIAYRIROMEHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N9O/c1-34-18-22(14-33-34)21-11-25(37-23(13-29)15-31-27(37)12-21)24-16-32-28(17-30-24)36-9-7-35(8-10-36)19-20-5-3-4-6-26(20)38-2/h3-6,11-12,14-18H,7-10,19H2,1-2H3.

What are the key properties of 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile?

5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 505.59 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 159566958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).