7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one

C22H24N6O — CID 136598954

IUPAC7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
SMILESCC(c1cccnc1)C1CNCC1C1=NC2=CN(c3ccccc3)CN2C(=O)N1
InChIInChI=1S/C22H24N6O/c1-15(16-6-5-9-23-10-16)18-11-24-12-19(18)21-25-20-13-27(14-28(20)22(29)26-21)17-7-3-2-4-8-17/h2-10,13,15,18-19,24H,11-12,14H2,1H3,(H,25,26,29)
InChIKeyRPQSYZZNYIUSNR-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.72
Rot. Bonds4

About 7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one

7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one (PubChem CID 136598954) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
PubChem CID136598954
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one
SMILESCC(c1cccnc1)C1CNCC1C1=NC2=CN(c3ccccc3)CN2C(=O)N1
InChIInChI=1S/C22H24N6O/c1-15(16-6-5-9-23-10-16)18-11-24-12-19(18)21-25-20-13-27(14-28(20)22(29)26-21)17-7-3-2-4-8-17/h2-10,13,15,18-19,24H,11-12,14H2,1H3,(H,25,26,29)
InChIKeyRPQSYZZNYIUSNR-UHFFFAOYSA-N
XLogP2.72
TPSA72.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methyl-pyridin-2-YL)-3-phenyl-urea
CID 790718
1-Phenyl-3-(3-pyridylmethyl)urea
CID 853670
1-(4-Methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4677493
1-Methyl-6-Phenyl-1,3-Dihydro-2h-Imidazo[4,5-B]pyridin-2-One
CID 4153551
N-[4-(1-isobutyrylpiperidin-4-yl)phenyl]-1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
CID 57510249
2-(3-pyridinyl)-N-[2-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide
CID 2738281
1-(2-Ethylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4463258
1-(4-Butylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 6466017
1-[4-(Propan-2-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 6470487
1-(4-Ethylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 24818651
N-(2,4-difluorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 2893801
1-(3-Methyl-pyridin-2-yl)-3-p-tolyl-urea
CID 790700

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one (CID 136598954) is 7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one is CC(c1cccnc1)C1CNCC1C1=NC2=CN(c3ccccc3)CN2C(=O)N1.
What is the InChIKey of 7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is RPQSYZZNYIUSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15(16-6-5-9-23-10-16)18-11-24-12-19(18)21-25-20-13-27(14-28(20)22(29)26-21)17-7-3-2-4-8-17/h2-10,13,15,18-19,24H,11-12,14H2,1H3,(H,25,26,29).
What are the key properties of 7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one?
7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 388.48 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-2-[4-(1-pyridin-3-ylethyl)pyrrolidin-3-yl]-3,6-dihydroimidazo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 136598954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).