6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

C27H31N7O2 — CID 161223419

About 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 161223419) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 161223419
• Molecular Formula: C27H31N7O2
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.25
• IUPAC Name: 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
• SMILES: COCCN1CCN(c2ccc(Nc3nc(-c4cnc5c(c4)CCCO5)cn4ccnc34)cc2)CC1
• InChI: InChI=1S/C27H31N7O2/c1-35-16-14-32-10-12-33(13-11-32)23-6-4-22(5-7-23)30-25-26-28-8-9-34(26)19-24(31-25)21-17-20-3-2-15-36-27(20)29-18-21/h4-9,17-19H,2-3,10-16H2,1H3,(H,30,31)
• InChIKey: UXUTXQMIPRFOQM-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 80.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

The IUPAC name of 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 161223419) is 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

What is the SMILES notation for 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

The canonical SMILES for 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is COCCN1CCN(c2ccc(Nc3nc(-c4cnc5c(c4)CCCO5)cn4ccnc34)cc2)CC1.

What is the InChIKey of 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

The InChIKey is UXUTXQMIPRFOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-35-16-14-32-10-12-33(13-11-32)23-6-4-22(5-7-23)30-25-26-28-8-9-34(26)19-24(31-25)21-17-20-3-2-15-36-27(20)29-18-21/h4-9,17-19H,2-3,10-16H2,1H3,(H,30,31).

What are the key properties of 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?

6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 485.59 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 161223419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).