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

C23H23N5O — CID 71549461

IUPAC6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC1CN(Cc2ccccn2)CC1c1cn2c(-c3ccccc3)ncc2c(=O)[nH]1
InChIInChI=1S/C23H23N5O/c1-16-12-27(13-18-9-5-6-10-24-18)14-19(16)20-15-28-21(23(29)26-20)11-25-22(28)17-7-3-2-4-8-17/h2-11,15-16,19H,12-14H2,1H3,(H,26,29)
InChIKeyPTYLHUJTFPIXHE-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.32
Rot. Bonds4

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

6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one (PubChem CID 71549461) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one.

Molecular Properties

Compound Name6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one
PubChem CID71549461
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one
SMILESCC1CN(Cc2ccccn2)CC1c1cn2c(-c3ccccc3)ncc2c(=O)[nH]1
InChIInChI=1S/C23H23N5O/c1-16-12-27(13-18-9-5-6-10-24-18)14-19(16)20-15-28-21(23(29)26-20)11-25-22(28)17-7-3-2-4-8-17/h2-11,15-16,19H,12-14H2,1H3,(H,26,29)
InChIKeyPTYLHUJTFPIXHE-UHFFFAOYSA-N
XLogP3.32
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-6-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7H-imidazo[1,5-a]pyrazin-8-one
CID 71549601
4-[[3-methyl-4-[3-(oxan-4-yl)-8-oxo-7H-imidazo[1,5-a]pyrazin-6-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 71550425
6-[1-(cyclohexylmethyl)-4-methylpyrrolidin-3-yl]-3-(oxan-4-yl)-7H-imidazo[1,5-a]pyrazin-8-one
CID 71550717
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136621689
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136952711
(3aS,6aR)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 96640188
4-[[(3aS,6aR)-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 97452960
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
3,5-dimethyl-4-[[2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methyl]-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 171688693
(3aS,6aR)-2-(pyridin-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 156899177
(3aR,6aS)-N,N-dimethyl-2-(pyridin-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 97376937
5-phenyl-2-(pyridin-2-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one;2,2,2-trifluoroacetic acid
CID 171696105

Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one?
The IUPAC name of 6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one (CID 71549461) is 6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one.
What is the SMILES notation for 6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one?
The canonical SMILES for 6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one is CC1CN(Cc2ccccn2)CC1c1cn2c(-c3ccccc3)ncc2c(=O)[nH]1.
What is the InChIKey of 6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one?
The InChIKey is PTYLHUJTFPIXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16-12-27(13-18-9-5-6-10-24-18)14-19(16)20-15-28-21(23(29)26-20)11-25-22(28)17-7-3-2-4-8-17/h2-11,15-16,19H,12-14H2,1H3,(H,26,29).
What are the key properties of 6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one?
6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one has a molecular weight of 385.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-3-phenyl-7H-imidazo[1,5-a]pyrazin-8-one is sourced from PubChem (CID 71549461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).