2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine

C33H23FN12O — CID 69150202

About 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine

2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine (PubChem CID 69150202) has the molecular formula C33H23FN12O and a molecular weight of 622.63 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine
• PubChem CID: 69150202
• Molecular Formula: C33H23FN12O
• Molecular Weight: 622.63 g/mol
• Exact Mass: 622.21
• IUPAC Name: 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine
• SMILES: Fc1ccc(-c2nc3nc(-c4cccnc4)c(-c4ccncc4)nc3[nH]2)cc1.Nc1nc(-c2ccncn2)c(-c2ccco2)nc1N
• InChI: InChI=1S/C21H13FN6.C12H10N6O/c22-16-5-3-14(4-6-16)19-27-20-21(28-19)26-18(15-2-1-9-24-12-15)17(25-20)13-7-10-23-11-8-13;13-11-12(14)18-10(8-2-1-5-19-8)9(17-11)7-3-4-15-6-16-7/h1-12H,(H,25,26,27,28);1-6H,(H2,13,17)(H2,14,18)
• InChIKey: QOFXRKKSZDCULO-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 196.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	622.63
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine?

The IUPAC name of 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine (CID 69150202) is 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine.

What is the SMILES notation for 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine?

The canonical SMILES for 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine is Fc1ccc(-c2nc3nc(-c4cccnc4)c(-c4ccncc4)nc3[nH]2)cc1.Nc1nc(-c2ccncn2)c(-c2ccco2)nc1N.

What is the InChIKey of 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine?

The InChIKey is QOFXRKKSZDCULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN6.C12H10N6O/c22-16-5-3-14(4-6-16)19-27-20-21(28-19)26-18(15-2-1-9-24-12-15)17(25-20)13-7-10-23-11-8-13;13-11-12(14)18-10(8-2-1-5-19-8)9(17-11)7-3-4-15-6-16-7/h1-12H,(H,25,26,27,28);1-6H,(H2,13,17)(H2,14,18).

What are the key properties of 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine?

2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine has a molecular weight of 622.63 g/mol, XLogP of 5.64, 5 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-5-pyridin-3-yl-6-pyridin-4-yl-1H-imidazo[4,5-b]pyrazine;5-(furan-2-yl)-6-pyrimidin-4-ylpyrazine-2,3-diamine is sourced from PubChem (CID 69150202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).