ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine

C22H31N9 — CID 143461179

About ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine

ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143461179) has the molecular formula C22H31N9 and a molecular weight of 421.55 g/mol. Its IUPAC name is ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 143461179
• Molecular Formula: C22H31N9
• Molecular Weight: 421.55 g/mol
• Exact Mass: 421.27
• IUPAC Name: ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine
• SMILES: CC.CC/C=C\C=C(/C)n1nccc1Nc1nccn2c(C3=CN(NC)NC3)cnc12
• InChI: InChI=1S/C20H25N9.C2H6/c1-4-5-6-7-15(2)29-18(8-9-24-29)26-19-20-23-13-17(27(20)11-10-22-19)16-12-25-28(14-16)21-3;1-2/h5-11,13-14,21,25H,4,12H2,1-3H3,(H,22,26);1-2H3/b6-5-,15-7+
• InChIKey: AOKJOXHCSQYZPH-XTMBLBBISA-N
• XLogP: 3.82
• TPSA: 87.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.55
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine (CID 143461179) is ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine is CC.CC/C=C\C=C(/C)n1nccc1Nc1nccn2c(C3=CN(NC)NC3)cnc12.

What is the InChIKey of ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine?

The InChIKey is AOKJOXHCSQYZPH-XTMBLBBISA-N. The full InChI is InChI=1S/C20H25N9.C2H6/c1-4-5-6-7-15(2)29-18(8-9-24-29)26-19-20-23-13-17(27(20)11-10-22-19)16-12-25-28(14-16)21-3;1-2/h5-11,13-14,21,25H,4,12H2,1-3H3,(H,22,26);1-2H3/b6-5-,15-7+;.

What are the key properties of ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine?

ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 421.55 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[2-[(2E,4Z)-hepta-2,4-dien-2-yl]pyrazol-3-yl]-3-[2-(methylamino)-1,5-dihydropyrazol-4-yl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143461179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).