3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one

C24H22F2N4O — CID 71550426

IUPAC3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC1CN(Cc2ccc(F)cc2)CC1c1cn2c(-c3ccc(F)cc3)ncc2c(=O)[nH]1
InChIInChI=1S/C24H22F2N4O/c1-15-11-29(12-16-2-6-18(25)7-3-16)13-20(15)21-14-30-22(24(31)28-21)10-27-23(30)17-4-8-19(26)9-5-17/h2-10,14-15,20H,11-13H2,1H3,(H,28,31)
InChIKeyIXXFEEXROAIYKE-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.20
Rot. Bonds4

About 3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one

3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 71550426) has the molecular formula C24H22F2N4O and a molecular weight of 420.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID71550426
Molecular FormulaC24H22F2N4O
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC1CN(Cc2ccc(F)cc2)CC1c1cn2c(-c3ccc(F)cc3)ncc2c(=O)[nH]1
InChIInChI=1S/C24H22F2N4O/c1-15-11-29(12-16-2-6-18(25)7-3-16)13-20(15)21-14-30-22(24(31)28-21)10-27-23(30)17-4-8-19(26)9-5-17/h2-10,14-15,20H,11-13H2,1H3,(H,28,31)
InChIKeyIXXFEEXROAIYKE-UHFFFAOYSA-N
XLogP4.20
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one (CID 71550426) is 3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one is CC1CN(Cc2ccc(F)cc2)CC1c1cn2c(-c3ccc(F)cc3)ncc2c(=O)[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is IXXFEEXROAIYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O/c1-15-11-29(12-16-2-6-18(25)7-3-16)13-20(15)21-14-30-22(24(31)28-21)10-27-23(30)17-4-8-19(26)9-5-17/h2-10,14-15,20H,11-13H2,1H3,(H,28,31).
What are the key properties of 3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one?
3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 420.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-[1-[(4-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 71550426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).