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6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

C22H19FN6O2 — CID 122510904

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3ncc(C(N)=O)n3c2)C1
InChIInChI=1S/C22H19FN6O2/c1-13(30)27-8-9-28-19(12-27)26-20(14-2-5-16(23)6-3-14)21(28)15-4-7-18-25-10-17(22(24)31)29(18)11-15/h2-7,10-11H,8-9,12H2,1H3,(H2,24,31)
InChIKeyYVYOKWAPEVPPGT-UHFFFAOYSA-N
MW418.43 g/mol
LogP2.46
Rot. Bonds3

About 6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510904) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510904
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3ncc(C(N)=O)n3c2)C1
InChIInChI=1S/C22H19FN6O2/c1-13(30)27-8-9-28-19(12-27)26-20(14-2-5-16(23)6-3-14)21(28)15-4-7-18-25-10-17(22(24)31)29(18)11-15/h2-7,10-11H,8-9,12H2,1H3,(H2,24,31)
InChIKeyYVYOKWAPEVPPGT-UHFFFAOYSA-N
XLogP2.46
TPSA98.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510904) is 6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is CC(=O)N1CCn2c(nc(-c3ccc(F)cc3)c2-c2ccc3ncc(C(N)=O)n3c2)C1.
What is the InChIKey of 6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YVYOKWAPEVPPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-13(30)27-8-9-28-19(12-27)26-20(14-2-5-16(23)6-3-14)21(28)15-4-7-18-25-10-17(22(24)31)29(18)11-15/h2-7,10-11H,8-9,12H2,1H3,(H2,24,31).
What are the key properties of 6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-acetyl-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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