3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one

C23H22FN5O — CID 71550716

IUPAC3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC1CN(Cc2ccccn2)CC1c1cn2c(-c3ccc(F)cc3)ncc2c(=O)[nH]1
InChIInChI=1S/C23H22FN5O/c1-15-11-28(12-18-4-2-3-9-25-18)13-19(15)20-14-29-21(23(30)27-20)10-26-22(29)16-5-7-17(24)8-6-16/h2-10,14-15,19H,11-13H2,1H3,(H,27,30)
InChIKeyKQUHRFKFEIWQQX-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.46
Rot. Bonds4

About 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one

3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 71550716) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID71550716
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC1CN(Cc2ccccn2)CC1c1cn2c(-c3ccc(F)cc3)ncc2c(=O)[nH]1
InChIInChI=1S/C23H22FN5O/c1-15-11-28(12-18-4-2-3-9-25-18)13-19(15)20-14-29-21(23(30)27-20)10-26-22(29)16-5-7-17(24)8-6-16/h2-10,14-15,19H,11-13H2,1H3,(H,27,30)
InChIKeyKQUHRFKFEIWQQX-UHFFFAOYSA-N
XLogP3.46
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one (CID 71550716) is 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one is CC1CN(Cc2ccccn2)CC1c1cn2c(-c3ccc(F)cc3)ncc2c(=O)[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is KQUHRFKFEIWQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-15-11-28(12-18-4-2-3-9-25-18)13-19(15)20-14-29-21(23(30)27-20)10-26-22(29)16-5-7-17(24)8-6-16/h2-10,14-15,19H,11-13H2,1H3,(H,27,30).
What are the key properties of 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one?
3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 403.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 71550716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).