6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine

C27H30FN7O2 — CID 161016814

About 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine

6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 161016814) has the molecular formula C27H30FN7O2 and a molecular weight of 503.58 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]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-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 161016814
• Molecular Formula: C27H30FN7O2
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.24
• IUPAC Name: 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
• SMILES: COc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCN(C)[C@@H](CF)C1
• InChI: InChI=1S/C27H30FN7O2/c1-33-9-10-34(16-21(33)14-28)23-6-5-20(13-24(23)36-2)31-25-26-29-7-8-35(26)17-22(32-25)19-12-18-4-3-11-37-27(18)30-15-19/h5-8,12-13,15,17,21H,3-4,9-11,14,16H2,1-2H3,(H,31,32)/t21-/m0/s1
• InChIKey: XTPMEMVPYMQROY-NRFANRHFSA-N
• XLogP: 3.96
• TPSA: 80.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	3.96
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-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]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-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine (CID 161016814) is 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]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-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]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-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCN(C)[C@@H](CF)C1.

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

The InChIKey is XTPMEMVPYMQROY-NRFANRHFSA-N. The full InChI is InChI=1S/C27H30FN7O2/c1-33-9-10-34(16-21(33)14-28)23-6-5-20(13-24(23)36-2)31-25-26-29-7-8-35(26)17-22(32-25)19-12-18-4-3-11-37-27(18)30-15-19/h5-8,12-13,15,17,21H,3-4,9-11,14,16H2,1-2H3,(H,31,32)/t21-/m0/s1.

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

6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 503.58 g/mol, XLogP of 3.96, 6 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-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 161016814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).