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

C48H48FN11O5 — CID 162098947

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

6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 162098947) has the molecular formula C48H48FN11O5 and a molecular weight of 877.98 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-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-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
• PubChem CID: 162098947
• Molecular Formula: C48H48FN11O5
• Molecular Weight: 877.98 g/mol
• Exact Mass: 877.38
• IUPAC Name: 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
• SMILES: COc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCC(F)CC1.COc1ccc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)cc1OC
• InChI: InChI=1S/C26H27FN6O2.C22H21N5O3/c1-34-23-14-20(4-5-22(23)32-9-6-19(27)7-10-32)30-24-25-28-8-11-33(25)16-21(31-24)18-13-17-3-2-12-35-26(17)29-15-18;1-28-18-6-5-16(11-19(18)29-2)25-20-21-23-7-8-27(21)13-17(26-20)15-10-14-4-3-9-30-22(14)24-12-15/h4-5,8,11,13-16,19H,2-3,6-7,9-10,12H2,1H3,(H,30,31);5-8,10-13H,3-4,9H2,1-2H3,(H,25,26)
• InChIKey: ZEPUPIBCJRJUKF-UHFFFAOYSA-N
• XLogP: 8.68
• TPSA: 159.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.98
LogP ≤ 5	8.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

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-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-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-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine (CID 162098947) is 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-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-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-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-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCC(F)CC1.COc1ccc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)cc1OC.

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

The InChIKey is ZEPUPIBCJRJUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2.C22H21N5O3/c1-34-23-14-20(4-5-22(23)32-9-6-19(27)7-10-32)30-24-25-28-8-11-33(25)16-21(31-24)18-13-17-3-2-12-35-26(17)29-15-18;1-28-18-6-5-16(11-19(18)29-2)25-20-21-23-7-8-27(21)13-17(26-20)15-10-14-4-3-9-30-22(14)24-12-15/h4-5,8,11,13-16,19H,2-3,6-7,9-10,12H2,1H3,(H,30,31);5-8,10-13H,3-4,9H2,1-2H3,(H,25,26).

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

6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 877.98 g/mol, XLogP of 8.68, 10 rotatable bonds, 2 hydrogen bond donors, and 16 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-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 162098947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).