6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile

C43H40FN11O2 — CID 137389011

About 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile

6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile (PubChem CID 137389011) has the molecular formula C43H40FN11O2 and a molecular weight of 761.87 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile
• PubChem CID: 137389011
• Molecular Formula: C43H40FN11O2
• Molecular Weight: 761.87 g/mol
• Exact Mass: 761.34
• IUPAC Name: 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile
• SMILES: Cc1ccc(-c2cnc(Cc3ccc(F)cc3)o2)c(N2CCn3c(C4CCCC4Cc4ncc(-c5ccc(C#N)nc5N5CCn6ccnc6C5)o4)cnc3C2)n1
• InChI: InChI=1S/C43H40FN11O2/c1-27-5-11-33(36-23-48-40(56-36)19-28-6-8-30(44)9-7-28)42(50-27)54-17-18-55-35(22-47-39(55)26-54)32-4-2-3-29(32)20-41-49-24-37(57-41)34-12-10-31(21-45)51-43(34)53-16-15-52-14-13-46-38(52)25-53/h5-14,22-24,29,32H,2-4,15-20,25-26H2,1H3
• InChIKey: YUDWGXKGLQQMRD-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 143.75 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	761.87
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile?

The IUPAC name of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile (CID 137389011) is 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile?

The canonical SMILES for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile is Cc1ccc(-c2cnc(Cc3ccc(F)cc3)o2)c(N2CCn3c(C4CCCC4Cc4ncc(-c5ccc(C#N)nc5N5CCn6ccnc6C5)o4)cnc3C2)n1.

What is the InChIKey of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile?

The InChIKey is YUDWGXKGLQQMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40FN11O2/c1-27-5-11-33(36-23-48-40(56-36)19-28-6-8-30(44)9-7-28)42(50-27)54-17-18-55-35(22-47-39(55)26-54)32-4-2-3-29(32)20-41-49-24-37(57-41)34-12-10-31(21-45)51-43(34)53-16-15-52-14-13-46-38(52)25-53/h5-14,22-24,29,32H,2-4,15-20,25-26H2,1H3.

What are the key properties of 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile?

6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 761.87 g/mol, XLogP of 7.26, 9 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-[2-[[2-[7-[3-[2-[(4-fluorophenyl)methyl]-1,3-oxazol-5-yl]-6-methyl-2-pyridinyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]cyclopentyl]methyl]-1,3-oxazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 137389011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).