1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone

C25H25N5O2 — CID 158307152

About 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone

1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone (PubChem CID 158307152) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone
• PubChem CID: 158307152
• Molecular Formula: C25H25N5O2
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.20
• IUPAC Name: 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone
• SMILES: CC(C)Oc1ccc(C(=O)Cc2cc3cc(-c4cnc5n4CCNC5)ccc3nn2)cc1
• InChI: InChI=1S/C25H25N5O2/c1-16(2)32-21-6-3-17(4-7-21)24(31)13-20-12-19-11-18(5-8-22(19)29-28-20)23-14-27-25-15-26-9-10-30(23)25/h3-8,11-12,14,16,26H,9-10,13,15H2,1-2H3
• InChIKey: GNFICDJIPZBTGN-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone?

The IUPAC name of 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone (CID 158307152) is 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone.

What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone?

The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone is CC(C)Oc1ccc(C(=O)Cc2cc3cc(-c4cnc5n4CCNC5)ccc3nn2)cc1.

What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone?

The InChIKey is GNFICDJIPZBTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16(2)32-21-6-3-17(4-7-21)24(31)13-20-12-19-11-18(5-8-22(19)29-28-20)23-14-27-25-15-26-9-10-30(23)25/h3-8,11-12,14,16,26H,9-10,13,15H2,1-2H3.

What are the key properties of 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone?

1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-propan-2-yloxyphenyl)-2-[6-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)cinnolin-3-yl]ethanone is sourced from PubChem (CID 158307152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).