5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile

C24H22F2N8O — CID 123138301

About 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile

5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile (PubChem CID 123138301) has the molecular formula C24H22F2N8O and a molecular weight of 476.49 g/mol. Its IUPAC name is 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile
• PubChem CID: 123138301
• Molecular Formula: C24H22F2N8O
• Molecular Weight: 476.49 g/mol
• Exact Mass: 476.19
• IUPAC Name: 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile
• SMILES: CC(N1CCn2cc(-c3ccc(C#N)nc3)nc2C1)C(O)(Cn1cncn1)c1ccc(F)cc1F
• InChI: InChI=1S/C24H22F2N8O/c1-16(24(35,13-34-15-28-14-30-34)20-5-3-18(25)8-21(20)26)32-6-7-33-11-22(31-23(33)12-32)17-2-4-19(9-27)29-10-17/h2-5,8,10-11,14-16,35H,6-7,12-13H2,1H3
• InChIKey: FUDHPVJKXSSTMG-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 108.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.49
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile?

The IUPAC name of 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile (CID 123138301) is 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile?

The canonical SMILES for 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile is CC(N1CCn2cc(-c3ccc(C#N)nc3)nc2C1)C(O)(Cn1cncn1)c1ccc(F)cc1F.

What is the InChIKey of 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile?

The InChIKey is FUDHPVJKXSSTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N8O/c1-16(24(35,13-34-15-28-14-30-34)20-5-3-18(25)8-21(20)26)32-6-7-33-11-22(31-23(33)12-32)17-2-4-19(9-27)29-10-17/h2-5,8,10-11,14-16,35H,6-7,12-13H2,1H3.

What are the key properties of 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile?

5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile has a molecular weight of 476.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 123138301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).