1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

C18H22N6O — CID 165368535

IUPAC1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCN1CC(c2ccccc2)N=C1CCc1nc2c(c(=O)[nH]1)CNN2C
InChIInChI=1S/C18H22N6O/c1-23-11-14(12-6-4-3-5-7-12)20-16(23)9-8-15-21-17-13(18(25)22-15)10-19-24(17)2/h3-7,14,19H,8-11H2,1-2H3,(H,21,22,25)
InChIKeyYWNHEXXUQYGDSR-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.24
Rot. Bonds4

About 1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one

1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 165368535) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one
PubChem CID165368535
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one
SMILESCN1CC(c2ccccc2)N=C1CCc1nc2c(c(=O)[nH]1)CNN2C
InChIInChI=1S/C18H22N6O/c1-23-11-14(12-6-4-3-5-7-12)20-16(23)9-8-15-21-17-13(18(25)22-15)10-19-24(17)2/h3-7,14,19H,8-11H2,1-2H3,(H,21,22,25)
InChIKeyYWNHEXXUQYGDSR-UHFFFAOYSA-N
XLogP1.24
TPSA76.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one (CID 165368535) is 1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one is CN1CC(c2ccccc2)N=C1CCc1nc2c(c(=O)[nH]1)CNN2C.
What is the InChIKey of 1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is YWNHEXXUQYGDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23-11-14(12-6-4-3-5-7-12)20-16(23)9-8-15-21-17-13(18(25)22-15)10-19-24(17)2/h3-7,14,19H,8-11H2,1-2H3,(H,21,22,25).
What are the key properties of 1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one?
1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 338.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[2-(1-methyl-4-phenyl-4,5-dihydroimidazol-2-yl)ethyl]-3,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 165368535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).